N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-3-phenyl-propanamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3-phenyl-propionamide Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S/c20-14-8-7-12(19(22)23)10-13(14)17-16(24)18-15(21)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,20H,6,9H2,(H2,17,18,21,24)