3-nitro-4-piperidin-1-yl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-nitro-4-piperidin-1-yl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide Openeye Name: N-[(2-isopropylphenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: 3-nitro-4-(1-piperidinyl)-N-[(2-propan-2-ylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-4-piperidin-1-yl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide Traditional Name: 3-nitro-N-(o-cumenylthiocarbamoyl)-4-piperidino-benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O3S/c1-15(2)17-8-4-5-9-18(17)23-22(30)24-21(27)16-10-11-19(20(14-16)26(28)29)25-12-6-3-7-13-25/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3,(H2,23,24,27,30)