N-cyclopentyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide

Systemtic Name: N-cyclopentyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(3-methoxyphenyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-4-keto-2-(m-anisylthio)-3-phenethyl-quinazoline-7-carboxamide Formula: C30H31N3O3S MolecularWeight: 513.65044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CCC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3S/c1-36-25-13-7-10-22(18-25)20-37-30-32-27-19-23(28(34)31-24-11-5-6-12-24)14-15-26(27)29(35)33(30)17-16-21-8-3-2-4-9-21/h2-4,7-10,13-15,18-19,24H,5-6,11-12,16-17,20H2,1H3,(H,31,34)