3-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 3-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(3-chloro-4-methyl-phenyl)carbamothioylamino]benzamide CAS Name: 3-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(3-chloro-4-methylphenyl)carbamothioylamino]benzamide Traditional Name: N-benzyl-3-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]benzamide Formula: C22H20ClN3OS MolecularWeight: 409.9317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H20ClN3OS/c1-15-10-11-19(13-20(15)23)26-22(28)25-18-9-5-8-17(12-18)21(27)24-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,24,27)(H2,25,26,28)