N-[(5-methoxy-2-oxidanyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(5-methoxy-2-oxidanyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(2-hydroxy-5-methoxy-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(2-hydroxy-5-methoxyanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(2-hydroxy-5-methoxy-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S/c1-29-14-6-8-18(25)15(12-14)21-20(30)22-19(26)13-5-7-16(17(11-13)24(27)28)23-9-3-2-4-10-23/h5-8,11-12,25H,2-4,9-10H2,1H3,(H2,21,22,26,30)