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

Systemtic Name: N-[1-[(2,4-dimethoxyphenyl)carbamothioyl]piperidin-4-yl]-3-nitro-benzamide Openeye Name: N-[1-[(2,4-dimethoxyphenyl)carbamothioyl]-4-piperidyl]-3-nitro-benzamide CAS Name: N-[1-[(2,4-dimethoxyanilino)-sulfanylidenemethyl]-4-piperidinyl]-3-nitrobenzamide IUPAC Name: N-[1-[(2,4-dimethoxyphenyl)carbamothioyl]piperidin-4-yl]-3-nitrobenzamide Traditional Name: N-[1-[(2,4-dimethoxyphenyl)thiocarbamoyl]-4-piperidyl]-3-nitro-benzamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N4O5S/c1-29-17-6-7-18(19(13-17)30-2)23-21(31)24-10-8-15(9-11-24)22-20(26)14-4-3-5-16(12-14)25(27)28/h3-7,12-13,15H,8-11H2,1-2H3,(H,22,26)(H,23,31)