3-(3-methylbutoxy)-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-(3-methylbutoxy)-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]-3-isopentyloxy-benzamide CAS Name: N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]-3-(3-methylbutoxy)benzamide IUPAC Name: N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-3-(3-methylbutoxy)benzamide Traditional Name: N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]-3-isoamoxy-benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C19H21N3O5S/c1-12(2)8-9-27-15-5-3-4-13(10-15)18(24)21-19(28)20-16-7-6-14(22(25)26)11-17(16)23/h3-7,10-12,23H,8-9H2,1-2H3,(H2,20,21,24,28)