2-[3-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide

Systemtic Name: 2-[3-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide Openeye Name: 2-[3-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide CAS Name: 2-[[3-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxo-2-quinazolinyl]thio]-N-(4-ethylphenyl)butanamide IUPAC Name: 2-[3-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide Traditional Name: 2-[[3-(4-chlorobenzyl)-4-keto-6,7-dimethoxy-quinazolin-2-yl]thio]-N-(4-ethylphenyl)butyramide Formula: C29H30ClN3O4S MolecularWeight: 552.0842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=CC(=C(C=C3C(=O)N2CC4=CC=C(C=C4)Cl)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=CC(=C(C=C3C(=O)N2CC4=CC=C(C=C4)Cl)OC)OC

InChI

InChI=1S/C29H30ClN3O4S/c1-5-18-9-13-21(14-10-18)31-27(34)26(6-2)38-29-32-23-16-25(37-4)24(36-3)15-22(23)28(35)33(29)17-19-7-11-20(30)12-8-19/h7-16,26H,5-6,17H2,1-4H3,(H,31,34)