N-[(3-chlorophenyl)methyl]-4-(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)butanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)butanamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-(4-oxo-2-phenacylsulfanyl-quinazolin-3-yl)butanamide CAS Name: N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-(phenacylthio)-3-quinazolinyl]butanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)butanamide Traditional Name: N-(3-chlorobenzyl)-4-[4-keto-2-(phenacylthio)quinazolin-3-yl]butyramide Formula: C27H24ClN3O3S MolecularWeight: 506.01576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H24ClN3O3S/c28-21-11-6-8-19(16-21)17-29-25(33)14-7-15-31-26(34)22-12-4-5-13-23(22)30-27(31)35-18-24(32)20-9-2-1-3-10-20/h1-6,8-13,16H,7,14-15,17-18H2,(H,29,33)