N-[(2,5-dimethylphenyl)-[[2-(hydroxymethyl)phenyl]methyl]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[(2,5-dimethylphenyl)-[[2-(hydroxymethyl)phenyl]methyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(2,5-dimethylphenyl)-[[2-(hydroxymethyl)phenyl]methyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethylanilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(2,5-dimethylphenyl)-[[2-(hydroxymethyl)phenyl]methyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[(2,5-dimethylphenyl)-(2-methylolbenzyl)thiocarbamoyl]-4-phenyl-benzamide Formula: C30H28N2O2S MolecularWeight: 480.62052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CC2=CC=CC=C2CO)C(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CC2=CC=CC=C2CO)C(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H28N2O2S/c1-21-12-13-22(2)28(18-21)32(19-26-10-6-7-11-27(26)20-33)30(35)31-29(34)25-16-14-24(15-17-25)23-8-4-3-5-9-23/h3-18,33H,19-20H2,1-2H3,(H,31,34,35)