4-[2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide

Systemtic Name: 4-[2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-[(4-chlorophenyl)methylthio]-4-oxo-3-quinazolinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-[(4-chlorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[2-[(4-chlorobenzyl)thio]-4-keto-quinazolin-3-yl]-N-phenethyl-butyramide Formula: C27H26ClN3O2S MolecularWeight: 492.03224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H26ClN3O2S/c28-22-14-12-21(13-15-22)19-34-27-30-24-10-5-4-9-23(24)26(33)31(27)18-6-11-25(32)29-17-16-20-7-2-1-3-8-20/h1-5,7-10,12-15H,6,11,16-19H2,(H,29,32)