2-[(4-chlorophenyl)carbamothioylamino]-N-(3,5-dimethylphenyl)benzamide

Systemtic Name: 2-[(4-chlorophenyl)carbamothioylamino]-N-(3,5-dimethylphenyl)benzamide Openeye Name: 2-[(4-chlorophenyl)carbamothioylamino]-N-(3,5-dimethylphenyl)benzamide CAS Name: 2-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-N-(3,5-dimethylphenyl)benzamide IUPAC Name: 2-[(4-chlorophenyl)carbamothioylamino]-N-(3,5-dimethylphenyl)benzamide Traditional Name: 2-[(4-chlorophenyl)thiocarbamoylamino]-N-(3,5-dimethylphenyl)benzamide Formula: C22H20ClN3OS MolecularWeight: 409.9317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2NC(=S)NC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2NC(=S)NC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H20ClN3OS/c1-14-11-15(2)13-18(12-14)24-21(27)19-5-3-4-6-20(19)26-22(28)25-17-9-7-16(23)8-10-17/h3-13H,1-2H3,(H,24,27)(H2,25,26,28)