3-bromanyl-4-methoxy-N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[[4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C27H27BrN4O3S MolecularWeight: 567.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C27H27BrN4O3S/c1-18-5-3-4-6-22(18)26(34)32-15-13-31(14-16-32)21-10-8-20(9-11-21)29-27(36)30-25(33)19-7-12-24(35-2)23(28)17-19/h3-12,17H,13-16H2,1-2H3,(H2,29,30,33,36)