N-(2-methylsulfanylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2-methylsulfanylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-methylsulfanylphenyl)-4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-[(2-methyl-4-thiazolyl)methyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-methylsulfanylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(2-methylthiazol-4-yl)methyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carbothioamide Formula: C18H24N4S3 MolecularWeight: 392.60496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=S)NC3=CC=CC=C3SC

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=S)NC3=CC=CC=C3SC

InChI

InChI=1S/C18H24N4S3/c1-14-19-15(13-25-14)12-21-8-5-9-22(11-10-21)18(23)20-16-6-3-4-7-17(16)24-2/h3-4,6-7,13H,5,8-12H2,1-2H3,(H,20,23)