N-(2-methylsulfanylphenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2-methylsulfanylphenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-methylsulfanylphenyl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(methylthio)phenyl]-4-(2-thiazolylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-methylsulfanylphenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-(methylthio)phenyl]-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Formula: C17H22N4S3 MolecularWeight: 378.57838

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=NC=CS3

Isomeric SMILES

CSC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=NC=CS3

InChI

InChI=1S/C17H22N4S3/c1-23-15-6-3-2-5-14(15)19-17(22)21-9-4-8-20(10-11-21)13-16-18-7-12-24-16/h2-3,5-7,12H,4,8-11,13H2,1H3,(H,19,22)