ethyl 2-[(4-ethanoyl-1,4-diazepan-1-yl)carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-ethanoyl-1,4-diazepan-1-yl)carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-acetyl-1,4-diazepane-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-acetyl-1,4-diazepan-1-yl)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetyl-1,4-diazepane-1-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-acetyl-1,4-diazepane-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H27N3O3S2 MolecularWeight: 409.56598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)N3CCCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)N3CCCN(CC3)C(=O)C

InChI

InChI=1S/C19H27N3O3S2/c1-3-25-18(24)16-14-7-4-5-8-15(14)27-17(16)20-19(26)22-10-6-9-21(11-12-22)13(2)23/h3-12H2,1-2H3,(H,20,26)