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

Systemtic Name: N-[(3,5-dimethyl-2-oxidanyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(2-hydroxy-3,5-dimethyl-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(2-hydroxy-3,5-dimethylanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(2-hydroxy-3,5-dimethyl-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S/c1-13-10-14(2)19(26)16(11-13)22-21(30)23-20(27)15-6-7-17(18(12-15)25(28)29)24-8-4-3-5-9-24/h6-7,10-12,26H,3-5,8-9H2,1-2H3,(H2,22,23,27,30)