N-[(4-ethanoylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(4-ethanoylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(4-acetylphenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(4-acetylanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(4-acetylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(4-acetylphenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c1-14(26)15-5-8-17(9-6-15)22-21(30)23-20(27)16-7-10-18(19(13-16)25(28)29)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12H2,1H3,(H2,22,23,27,30)