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

Systemtic Name: N-[(4-methyl-2-oxidanyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(2-hydroxy-4-methyl-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(2-hydroxy-4-methylanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(2-hydroxy-4-methyl-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c1-13-5-7-15(18(25)11-13)21-20(29)22-19(26)14-6-8-16(17(12-14)24(27)28)23-9-3-2-4-10-23/h5-8,11-12,25H,2-4,9-10H2,1H3,(H2,21,22,26,29)