2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]-N-phenethylacetamide IUPAC Name: 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-phenethyl-acetamide Formula: C25H22ClN3O2S MolecularWeight: 463.97908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C25H22ClN3O2S/c26-20-11-12-21-22(15-20)28-25(29(24(21)31)16-19-9-5-2-6-10-19)32-17-23(30)27-14-13-18-7-3-1-4-8-18/h1-12,15H,13-14,16-17H2,(H,27,30)