2-[(4-oxidanylidene-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(4-oxidanylidene-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(4-keto-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio]-N-phenethyl-acetamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C3C(=N2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C=C3C(=N2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S/c32-24(28-16-15-19-9-3-1-4-10-19)18-34-27-30-25-22(17-20-11-7-8-14-23(20)29-25)26(33)31(27)21-12-5-2-6-13-21/h1-6,9-10,12-13,17H,7-8,11,14-16,18H2,(H,28,32)