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

Systemtic Name: 4-methoxy-N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-3-nitro-N-[[4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C27H27N5O5S MolecularWeight: 533.59878

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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)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O5S/c1-18-5-3-4-6-22(18)26(34)31-15-13-30(14-16-31)21-10-8-20(9-11-21)28-27(38)29-25(33)19-7-12-24(37-2)23(17-19)32(35)36/h3-12,17H,13-16H2,1-2H3,(H2,28,29,33,38)