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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclopentyl-3-(4-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclopentyl-3-(4-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-cyclopentyl-3-(4-methoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclopentyl-3-(4-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N-cyclopentyl-4-keto-3-(4-methoxyphenyl)quinazoline-7-carboxamide Formula: C28H26ClN3O3S MolecularWeight: 520.04234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H26ClN3O3S/c1-35-23-12-10-22(11-13-23)32-27(34)24-14-9-19(26(33)30-21-7-2-3-8-21)16-25(24)31-28(32)36-17-18-5-4-6-20(29)15-18/h4-6,9-16,21H,2-3,7-8,17H2,1H3,(H,30,33)