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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCC(CC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCC(CC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O3S/c1-14-6-7-15(2)19(12-14)23-21(29)24-10-8-17(9-11-24)22-20(26)16-4-3-5-18(13-16)25(27)28/h3-7,12-13,17H,8-11H2,1-2H3,(H,22,26)(H,23,29)