N-(2-chlorophenyl)-2-(2-isocyano-4-methyl-phenyl)ethanethioamide

Systemtic Name: N-(2-chlorophenyl)-2-(2-isocyano-4-methyl-phenyl)ethanethioamide Openeye Name: N-(2-chlorophenyl)-2-(2-isocyano-4-methyl-phenyl)thioacetamide CAS Name: N-(2-chlorophenyl)-2-(2-isocyano-4-methylphenyl)ethanethioamide IUPAC Name: N-(2-chlorophenyl)-2-(2-isocyano-4-methylphenyl)ethanethioamide Traditional Name: N-(2-chlorophenyl)-2-(2-isocyano-4-methyl-phenyl)thioacetamide Formula: C16H13ClN2S MolecularWeight: 300.80582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC(=S)NC2=CC=CC=C2Cl)[N+]#[C-]

Isomeric SMILES

CC1=CC(=C(C=C1)CC(=S)NC2=CC=CC=C2Cl)[N+]#[C-]

InChI

InChI=1S/C16H13ClN2S/c1-11-7-8-12(15(9-11)18-2)10-16(20)19-14-6-4-3-5-13(14)17/h3-9H,10H2,1H3,(H,19,20)