7-chloranyl-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-3-propan-2-yl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-3-propan-2-yl-quinazolin-4-one Openeye Name: 7-chloro-3-isopropyl-2-(4-oxo-4-phenyl-butyl)sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[(4-oxo-4-phenylbutyl)thio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 7-chloro-2-(4-oxo-4-phenylbutyl)sulfanyl-3-propan-2-ylquinazolin-4-one Traditional Name: 7-chloro-3-isopropyl-2-[(4-keto-4-phenyl-butyl)thio]quinazolin-4-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O2S/c1-14(2)24-20(26)17-11-10-16(22)13-18(17)23-21(24)27-12-6-9-19(25)15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3