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

Systemtic Name: N-cyclopentyl-4-oxidanylidene-3-phenethyl-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-N-cyclopentyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-4-oxo-3-phenethyl-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-cyclopentyl-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-N-cyclopentyl-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C29H29N3O2S MolecularWeight: 483.62446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2S/c33-27(30-24-13-7-8-14-24)23-15-16-25-26(19-23)31-29(35-20-22-11-5-2-6-12-22)32(28(25)34)18-17-21-9-3-1-4-10-21/h1-6,9-12,15-16,19,24H,7-8,13-14,17-18,20H2,(H,30,33)