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

Systemtic Name: 3-nitro-N-[(2-oxidanyl-5-propan-2-yl-phenyl)carbamothioyl]-4-piperidin-1-yl-benzamide Openeye Name: N-[(2-hydroxy-5-isopropyl-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(2-hydroxy-5-propan-2-ylanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(2-hydroxy-5-isopropyl-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-14(2)15-7-9-20(27)17(12-15)23-22(31)24-21(28)16-6-8-18(19(13-16)26(29)30)25-10-4-3-5-11-25/h6-9,12-14,27H,3-5,10-11H2,1-2H3,(H2,23,24,28,31)