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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H26ClN3O2S/c1-19-8-2-3-10-21(19)18-34-27-30-24-13-5-4-12-23(24)26(33)31(27)15-7-14-25(32)29-17-20-9-6-11-22(28)16-20/h2-6,8-13,16H,7,14-15,17-18H2,1H3,(H,29,32)