4-[[4-[(3-nitrophenyl)carbonylcarbamothioylamino]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(3-nitrophenyl)carbonylcarbamothioylamino]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(3-nitrobenzoyl)carbamothioylamino]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[(3-nitrobenzoyl)carbamothioylamino]anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[(3-nitrobenzoyl)thiocarbamoylamino]anilino]butyric acid Formula: C18H16N4O6S MolecularWeight: 416.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O6S/c23-15(8-9-16(24)25)19-12-4-6-13(7-5-12)20-18(29)21-17(26)11-2-1-3-14(10-11)22(27)28/h1-7,10H,8-9H2,(H,19,23)(H,24,25)(H2,20,21,26,29)