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

Systemtic Name: 3-bromanyl-N-[[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[4-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C26H25BrN4O2S MolecularWeight: 537.4713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H25BrN4O2S/c1-18-5-7-19(8-6-18)25(33)31-15-13-30(14-16-31)23-11-9-22(10-12-23)28-26(34)29-24(32)20-3-2-4-21(27)17-20/h2-12,17H,13-16H2,1H3,(H2,28,29,32,34)