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

Systemtic Name: N-[[3-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[3-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: 3-nitro-N-[[3-(o-toluoylamino)phenyl]thiocarbamoyl]-4-piperidino-benzamide Formula: C27H27N5O4S MolecularWeight: 517.59938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O4S/c1-18-8-3-4-11-22(18)26(34)28-20-9-7-10-21(17-20)29-27(37)30-25(33)19-12-13-23(24(16-19)32(35)36)31-14-5-2-6-15-31/h3-4,7-13,16-17H,2,5-6,14-15H2,1H3,(H,28,34)(H2,29,30,33,37)