methyl 4-methyl-3-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]carbothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 4-methyl-3-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 4-methyl-3-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioyl]amino]thiophene-2-carboxylate CAS Name: 4-methyl-3-[[[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]thiophene-2-carboxylate Traditional Name: 4-methyl-3-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H26N4O2S2 MolecularWeight: 418.57604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3=C(SC=C3C)C(=O)OC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3=C(SC=C3C)C(=O)OC

InChI

InChI=1S/C20H26N4O2S2/c1-14-13-28-18(19(25)26-3)17(14)22-20(27)24-9-5-8-23(10-11-24)12-16-7-4-6-15(2)21-16/h4,6-7,13H,5,8-12H2,1-3H3,(H,22,27)