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

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-[2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]butanamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-[2-(o-tolylmethylsulfanyl)-4-oxo-quinazolin-3-yl]butanamide CAS Name: N-[(2-chlorophenyl)methyl]-4-[2-[(2-methylphenyl)methylthio]-4-oxo-3-quinazolinyl]butanamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-[2-[(2-methylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]butanamide Traditional Name: N-(2-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=C4Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CC=C4Cl

InChI

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