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

Systemtic Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(2,5-dimethoxyphenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c1-29-15-7-9-19(30-2)16(13-15)22-21(31)23-20(26)14-6-8-17(18(12-14)25(27)28)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H2,22,23,26,31)