2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-N-propyl-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-oxo-3-(2-oxolanylmethyl)-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-oxo-3-(oxolan-2-ylmethyl)-N-propylquinazoline-7-carboxamide Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-keto-N-propyl-3-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C25H26ClN3O4S MolecularWeight: 500.00964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)Cl)CC4CCCO4

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)Cl)CC4CCCO4

InChI

InChI=1S/C25H26ClN3O4S/c1-2-11-27-23(31)17-7-10-20-21(13-17)28-25(29(24(20)32)14-19-4-3-12-33-19)34-15-22(30)16-5-8-18(26)9-6-16/h5-10,13,19H,2-4,11-12,14-15H2,1H3,(H,27,31)