4-[(6-methylpyridin-2-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(6-methylpyridin-2-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(6-methyl-2-pyridyl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(6-methyl-2-pyridinyl)methyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(6-methylpyridin-2-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(6-methyl-2-pyridyl)methyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carbothioamide Formula: C20H26N4S2 MolecularWeight: 386.57724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3=CC=CC=C3SC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3=CC=CC=C3SC

InChI

InChI=1S/C20H26N4S2/c1-16-7-5-8-17(21-16)15-23-11-6-12-24(14-13-23)20(25)22-18-9-3-4-10-19(18)26-2/h3-5,7-10H,6,11-15H2,1-2H3,(H,22,25)