3-(4-methoxyphenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-3-(4-methoxyphenyl)-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 3-(4-methoxyphenyl)-4-oxo-2-(phenylmethylthio)-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-3-(4-methoxyphenyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-4-keto-3-(4-methoxyphenyl)-N-propyl-quinazoline-7-carboxamide Formula: C26H25N3O3S MolecularWeight: 459.56

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H25N3O3S/c1-3-15-27-24(30)19-9-14-22-23(16-19)28-26(33-17-18-7-5-4-6-8-18)29(25(22)31)20-10-12-21(32-2)13-11-20/h4-14,16H,3,15,17H2,1-2H3,(H,27,30)