3-[(2-methylphenyl)carbamothioylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 3-[(2-methylphenyl)carbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-(o-tolylcarbamothioylamino)benzamide CAS Name: 3-[[(2-methylanilino)-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(2-methylphenyl)carbamothioylamino]benzamide Traditional Name: N-benzyl-3-(o-tolylthiocarbamoylamino)benzamide Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3OS/c1-16-8-5-6-13-20(16)25-22(27)24-19-12-7-11-18(14-19)21(26)23-15-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,23,26)(H2,24,25,27)