2-[1-[(4-nitrophenyl)carbamothioyloxy]propan-2-ylcarbamoyl]benzoic acid

Systemtic Name: 2-[1-[(4-nitrophenyl)carbamothioyloxy]propan-2-ylcarbamoyl]benzoic acid Openeye Name: 2-[[1-methyl-2-[(4-nitrophenyl)carbamothioyloxy]ethyl]carbamoyl]benzoic acid CAS Name: 2-[[1-[(4-nitroanilino)-sulfanylidenemethoxy]propan-2-ylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[1-[(4-nitrophenyl)carbamothioyloxy]propan-2-ylcarbamoyl]benzoic acid Traditional Name: 2-[[1-methyl-2-[(4-nitrophenyl)thiocarbamoyloxy]ethyl]carbamoyl]benzoic acid Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(COC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H17N3O6S/c1-11(19-16(22)14-4-2-3-5-15(14)17(23)24)10-27-18(28)20-12-6-8-13(9-7-12)21(25)26/h2-9,11H,10H2,1H3,(H,19,22)(H,20,28)(H,23,24)