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

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)butanamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-(4-oxo-2-phenacylsulfanyl-quinazolin-3-yl)butanamide CAS Name: N-[(2-chlorophenyl)methyl]-4-[4-oxo-2-(phenacylthio)-3-quinazolinyl]butanamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)butanamide Traditional Name: N-(2-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=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CC=C4Cl

InChI

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