1-[4-chloranyl-2-(phenylcarbonyl)phenyl]-3-[2-(4-methylphenyl)sulfanylethyl]thiourea

Systemtic Name: 1-[4-chloranyl-2-(phenylcarbonyl)phenyl]-3-[2-(4-methylphenyl)sulfanylethyl]thiourea Openeye Name: 1-(2-benzoyl-4-chloro-phenyl)-3-[2-(p-tolylsulfanyl)ethyl]thiourea CAS Name: 1-(2-benzoyl-4-chlorophenyl)-3-[2-[(4-methylphenyl)thio]ethyl]thiourea IUPAC Name: 1-(2-benzoyl-4-chlorophenyl)-3-[2-(4-methylphenyl)sulfanylethyl]thiourea Traditional Name: 1-(2-benzoyl-4-chloro-phenyl)-3-[2-(p-tolylthio)ethyl]thiourea Formula: C23H21ClN2OS2 MolecularWeight: 441.00864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=S)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=S)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H21ClN2OS2/c1-16-7-10-19(11-8-16)29-14-13-25-23(28)26-21-12-9-18(24)15-20(21)22(27)17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H2,25,26,28)