N-[(3,5-dimethylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(3,5-dimethylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(3,5-dimethylphenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(3,5-dimethylanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(3,5-dimethylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(3,5-dimethylphenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-14-10-15(2)12-17(11-14)22-21(29)23-20(26)16-6-7-18(19(13-16)25(27)28)24-8-4-3-5-9-24/h6-7,10-13H,3-5,8-9H2,1-2H3,(H2,22,23,26,29)