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

Systemtic Name: 2-[2-(3-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-N-cyclopentyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxamide Openeye Name: 2-[2-(3-chlorophenyl)-2-oxo-ethyl]sulfanyl-N-cyclopentyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 2-[[2-(3-chlorophenyl)-2-oxoethyl]thio]-N-cyclopentyl-4-oxo-3-(2-oxolanylmethyl)-7-quinazolinecarboxamide IUPAC Name: 2-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopentyl-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxamide Traditional Name: 2-[[2-(3-chlorophenyl)-2-keto-ethyl]thio]-N-cyclopentyl-4-keto-3-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C27H28ClN3O4S MolecularWeight: 526.04692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC(=CC=C4)Cl)CC5CCCO5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC(=CC=C4)Cl)CC5CCCO5

InChI

InChI=1S/C27H28ClN3O4S/c28-19-6-3-5-17(13-19)24(32)16-36-27-30-23-14-18(25(33)29-20-7-1-2-8-20)10-11-22(23)26(34)31(27)15-21-9-4-12-35-21/h3,5-6,10-11,13-14,20-21H,1-2,4,7-9,12,15-16H2,(H,29,33)