methyl 1-[2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]acetyl]isonipecotic acid methyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-33-25(32)20-13-16-28(17-14-20)23(30)18-34-26-27-22-12-6-5-11-21(22)24(31)29(26)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,20H,7,10,13-18H2,1H3