(4R)-N-[1-[5-[[4-[(1S)-1,2-bis(dimethylamino)-2-oxidanylidene-ethyl]phenyl]amino]-6-oxidanylidene-1H-1,2,4-triazin-3-yl]piperidin-3-yl]-4-oxidanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: (4R)-N-[1-[5-[[4-[(1S)-1,2-bis(dimethylamino)-2-oxidanylidene-ethyl]phenyl]amino]-6-oxidanylidene-1H-1,2,4-triazin-3-yl]piperidin-3-yl]-4-oxidanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (4R)-N-[1-[5-[4-[(1S)-1,2-bis(dimethylamino)-2-oxo-ethyl]anilino]-6-oxo-1H-1,2,4-triazin-3-yl]-3-piperidyl]-4-hydroxy-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (4R)-N-[1-[5-[4-[(1S)-1,2-bis(dimethylamino)-2-oxoethyl]anilino]-6-oxo-1H-1,2,4-triazin-3-yl]-3-piperidinyl]-4-hydroxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (4R)-N-[1-[5-[4-[(1S)-1,2-bis(dimethylamino)-2-oxoethyl]anilino]-6-oxo-1H-1,2,4-triazin-3-yl]piperidin-3-yl]-4-hydroxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (4R)-N-[1-[5-[4-[(1S)-1,2-bis(dimethylamino)-2-keto-ethyl]anilino]-6-keto-1H-1,2,4-triazin-3-yl]-3-piperidyl]-4-hydroxy-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C29H38N8O4S MolecularWeight: 594.72822

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(C1=CC=C(C=C1)NC2=NC(=NNC2=O)N3CCCC(C3)NC(=O)C4=CC5=C(S4)CCCC5O)C(=O)N(C)C

Isomeric SMILES

CN(C)[C@@H](C1=CC=C(C=C1)NC2=NC(=NNC2=O)N3CCCC(C3)NC(=O)C4=CC5=C(S4)CCC[C@H]5O)C(=O)N(C)C

InChI

InChI=1S/C29H38N8O4S/c1-35(2)24(28(41)36(3)4)17-10-12-18(13-11-17)30-25-27(40)33-34-29(32-25)37-14-6-7-19(16-37)31-26(39)23-15-20-21(38)8-5-9-22(20)42-23/h10-13,15,19,21,24,38H,5-9,14,16H2,1-4H3,(H,31,39)(H,33,40)(H,30,32,34)/t19?,21-,24+/m1/s1