N-[(2,5-dimethylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(2,5-dimethylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(2,5-dimethylphenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(2,5-dimethylanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2,5-dimethylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(2,5-dimethylphenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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