N-(2,6-dimethylphenyl)-2-[4-[(2-methylsulfanylphenyl)carbamothioyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(2-methylsulfanylphenyl)carbamothioyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(2-methylsulfanylphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[2-(methylthio)anilino]-sulfanylidenemethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(2-methylsulfanylphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[[2-(methylthio)phenyl]thiocarbamoyl]-1,4-diazepan-1-yl]acetamide Formula: C23H30N4OS2 MolecularWeight: 442.6405

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4OS2/c1-17-8-6-9-18(2)22(17)25-21(28)16-26-12-7-13-27(15-14-26)23(29)24-19-10-4-5-11-20(19)30-3/h4-6,8-11H,7,12-16H2,1-3H3,(H,24,29)(H,25,28)