3-[[4-oxidanylidene-8-[2-(phenylcarbamothioylsulfanyl)ethylamino]quinolizin-3-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[4-oxidanylidene-8-[2-(phenylcarbamothioylsulfanyl)ethylamino]quinolizin-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[4-oxo-8-[2-(phenylcarbamothioylsulfanyl)ethylamino]quinolizine-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[8-[2-[[anilino(sulfanylidene)methyl]thio]ethylamino]-4-oxo-3-quinolizinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[4-oxo-8-[2-(phenylcarbamothioylsulfanyl)ethylamino]quinolizine-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[4-keto-8-[2-(phenylthiocarbamoylthio)ethylamino]quinolizine-3-carbonyl]amino]-3-phenyl-propionic acid Formula: C28H26N4O4S2 MolecularWeight: 546.66044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=C3C=C(C=CN3C2=O)NCCSC(=S)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=C3C=C(C=CN3C2=O)NCCSC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C28H26N4O4S2/c33-25(34)18-24(19-7-3-1-4-8-19)31-26(35)23-12-11-22-17-21(13-15-32(22)27(23)36)29-14-16-38-28(37)30-20-9-5-2-6-10-20/h1-13,15,17,24,29H,14,16,18H2,(H,30,37)(H,31,35)(H,33,34)