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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N3O4S/c1-10(2)11-3-5-12(6-4-11)16(22)19-17(25)18-14-9-13(20(23)24)7-8-15(14)21/h3-10,21H,1-2H3,(H2,18,19,22,25)