methyl 4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]carbothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 4-methyl-3-[[4-(3-pyridylmethyl)-1,4-diazepane-1-carbothioyl]amino]thiophene-2-carboxylate CAS Name: 4-methyl-3-[[[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioyl]amino]thiophene-2-carboxylate Traditional Name: 4-methyl-3-[[4-(3-pyridylmethyl)-1,4-diazepane-1-carbothioyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H24N4O2S2 MolecularWeight: 404.54946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1NC(=S)N2CCCN(CC2)CC3=CN=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CSC(=C1NC(=S)N2CCCN(CC2)CC3=CN=CC=C3)C(=O)OC

InChI

InChI=1S/C19H24N4O2S2/c1-14-13-27-17(18(24)25-2)16(14)21-19(26)23-8-4-7-22(9-10-23)12-15-5-3-6-20-11-15/h3,5-6,11,13H,4,7-10,12H2,1-2H3,(H,21,26)