N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(4-benzamido-3-methylanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(4-benzamido-3-methylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(4-benzamido-3-methyl-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C27H27N5O4S MolecularWeight: 517.59938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H27N5O4S/c1-18-16-21(11-12-22(18)29-25(33)19-8-4-2-5-9-19)28-27(37)30-26(34)20-10-13-23(24(17-20)32(35)36)31-14-6-3-7-15-31/h2,4-5,8-13,16-17H,3,6-7,14-15H2,1H3,(H,29,33)(H2,28,30,34,37)