methyl 2-[(4-ethanoyl-1,4-diazepan-1-yl)carbothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-ethanoyl-1,4-diazepan-1-yl)carbothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-acetyl-1,4-diazepane-1-carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(4-acetyl-1,4-diazepan-1-yl)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-acetyl-1,4-diazepane-1-carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-acetyl-1,4-diazepane-1-carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C17H23N3O3S2/c1-11(21)19-7-4-8-20(10-9-19)17(24)18-15-14(16(22)23-2)12-5-3-6-13(12)25-15/h3-10H2,1-2H3,(H,18,24)