2-[2-[[4-azanyl-5-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[[4-azanyl-5-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[[4-amino-5-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[[4-amino-5-[[2-(diethylamino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[[4-amino-5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[[4-amino-5-[[2-(diethylamino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H27N7O3S3 MolecularWeight: 497.65778

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NN=C(N1N)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(N1N)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C19H27N7O3S3/c1-3-25(4-2)14(28)10-31-19-24-23-18(26(19)21)30-9-13(27)22-17-15(16(20)29)11-7-5-6-8-12(11)32-17/h3-10,21H2,1-2H3,(H2,20,29)(H,22,27)