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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O4S/c1-18-6-5-7-19(16-18)25(33)28-21-9-11-22(12-10-21)29-27(37)30-26(34)20-8-13-23(24(17-20)32(35)36)31-14-3-2-4-15-31/h5-13,16-17H,2-4,14-15H2,1H3,(H,28,33)(H2,29,30,34,37)