4-methoxy-3-[(4-methylphenyl)carbamothioylamino]-N-phenyl-benzamide

Systemtic Name: 4-methoxy-3-[(4-methylphenyl)carbamothioylamino]-N-phenyl-benzamide Openeye Name: 4-methoxy-N-phenyl-3-(p-tolylcarbamothioylamino)benzamide CAS Name: 4-methoxy-3-[[(4-methylanilino)-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: 4-methoxy-3-[(4-methylphenyl)carbamothioylamino]-N-phenylbenzamide Traditional Name: 4-methoxy-N-phenyl-3-(p-tolylthiocarbamoylamino)benzamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C22H21N3O2S/c1-15-8-11-18(12-9-15)24-22(28)25-19-14-16(10-13-20(19)27-2)21(26)23-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,23,26)(H2,24,25,28)