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

Systemtic Name: 4-oxidanylidene-3-phenethyl-2-(phenylmethylsulfanyl)-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-4-oxo-3-phenethyl-N-propyl-quinazoline-7-carboxamide CAS Name: 4-oxo-3-phenethyl-2-(phenylmethylthio)-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-4-oxo-3-phenethyl-N-propylquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-4-keto-3-phenethyl-N-propyl-quinazoline-7-carboxamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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)CCC4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S/c1-2-16-28-25(31)22-13-14-23-24(18-22)29-27(33-19-21-11-7-4-8-12-21)30(26(23)32)17-15-20-9-5-3-6-10-20/h3-14,18H,2,15-17,19H2,1H3,(H,28,31)