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

Systemtic Name: 3-bromanyl-N-[(2,5-dimethylphenyl)-[[2-(hydroxymethyl)phenyl]methyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[(2,5-dimethylphenyl)-[[2-(hydroxymethyl)phenyl]methyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethylanilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[(2,5-dimethylphenyl)-[[2-(hydroxymethyl)phenyl]methyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[(2,5-dimethylphenyl)-(2-methylolbenzyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C25H25BrN2O3S MolecularWeight: 513.4466

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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)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN2O3S/c1-16-8-9-17(2)22(12-16)28(14-19-6-4-5-7-20(19)15-29)25(32)27-24(30)18-10-11-23(31-3)21(26)13-18/h4-13,29H,14-15H2,1-3H3,(H,27,30,32)