methyl N-[[2-[C-(4-chlorophenyl)carbonimidoyl]-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-[C-(4-chlorophenyl)carbonimidoyl]-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(4-chlorobenzenecarboximidoyl)-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[(4-chlorophenyl)-iminomethyl]-5-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(4-chlorobenzenecarboximidoyl)-5-phenylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(4-chlorobenzimidoyl)-5-(phenylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C22H18ClN3O2S2 MolecularWeight: 455.98022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=CC(=C1)SC2=CC=CC=C2)C(=N)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=CC(=C1)SC2=CC=CC=C2)C(=N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClN3O2S2/c1-28-22(27)26-21(29)25-19-13-17(30-16-5-3-2-4-6-16)11-12-18(19)20(24)14-7-9-15(23)10-8-14/h2-13,24H,1H3,(H2,25,26,27,29)