4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-phenacylsulfanyl-N-(3-piperidin-1-ylpropyl)quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-phenacylsulfanyl-N-(3-piperidin-1-ylpropyl)quinazoline-7-carboxamide Openeye Name: 4-oxo-2-phenacylsulfanyl-N-[3-(1-piperidyl)propyl]-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 4-oxo-3-(2-oxolanylmethyl)-2-(phenacylthio)-N-[3-(1-piperidinyl)propyl]-7-quinazolinecarboxamide IUPAC Name: 4-oxo-3-(oxolan-2-ylmethyl)-2-phenacylsulfanyl-N-(3-piperidin-1-ylpropyl)quinazoline-7-carboxamide Traditional Name: 4-keto-2-(phenacylthio)-N-(3-piperidinopropyl)-3-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C30H36N4O4S MolecularWeight: 548.69624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CC5CCCO5

Isomeric SMILES

C1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CC5CCCO5

InChI

InChI=1S/C30H36N4O4S/c35-27(22-9-3-1-4-10-22)21-39-30-32-26-19-23(28(36)31-14-8-17-33-15-5-2-6-16-33)12-13-25(26)29(37)34(30)20-24-11-7-18-38-24/h1,3-4,9-10,12-13,19,24H,2,5-8,11,14-18,20-21H2,(H,31,36)