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

Systemtic Name: N-[1-[5-[[4-[(1S)-1,2-bis(dimethylamino)-2-oxidanylidene-ethyl]phenyl]amino]-1-methyl-6-oxidanylidene-1,2,4-triazin-3-yl]piperidin-3-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[1-[5-[4-[(1S)-1,2-bis(dimethylamino)-2-oxo-ethyl]anilino]-1-methyl-6-oxo-1,2,4-triazin-3-yl]-3-piperidyl]benzothiophene-2-carboxamide CAS Name: N-[1-[5-[4-[(1S)-1,2-bis(dimethylamino)-2-oxoethyl]anilino]-1-methyl-6-oxo-1,2,4-triazin-3-yl]-3-piperidinyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-[5-[4-[(1S)-1,2-bis(dimethylamino)-2-oxoethyl]anilino]-1-methyl-6-oxo-1,2,4-triazin-3-yl]piperidin-3-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[1-[5-[4-[(1S)-1,2-bis(dimethylamino)-2-keto-ethyl]anilino]-6-keto-1-methyl-1,2,4-triazin-3-yl]-3-piperidyl]benzothiophene-2-carboxamide Formula: C30H36N8O3S MolecularWeight: 588.72364

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=NC(=N1)N2CCCC(C2)NC(=O)C3=CC4=CC=CC=C4S3)NC5=CC=C(C=C5)C(C(=O)N(C)C)N(C)C

Isomeric SMILES

CN1C(=O)C(=NC(=N1)N2CCCC(C2)NC(=O)C3=CC4=CC=CC=C4S3)NC5=CC=C(C=C5)[C@@H](C(=O)N(C)C)N(C)C

InChI

InChI=1S/C30H36N8O3S/c1-35(2)25(28(40)36(3)4)19-12-14-21(15-13-19)31-26-29(41)37(5)34-30(33-26)38-16-8-10-22(18-38)32-27(39)24-17-20-9-6-7-11-23(20)42-24/h6-7,9,11-15,17,22,25H,8,10,16,18H2,1-5H3,(H,32,39)(H,31,33,34)/t22?,25-/m0/s1