N-cycloheptyl-2-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-cycloheptyl-2-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cycloheptyl-2-[3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cycloheptyl-2-[[3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-cycloheptyl-2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-cycloheptyl-2-[[4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]acetamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCCC4

InChI

InChI=1S/C25H29N3O3S/c1-17-13-14-22(31-2)21(15-17)28-24(30)19-11-7-8-12-20(19)27-25(28)32-16-23(29)26-18-9-5-3-4-6-10-18/h7-8,11-15,18H,3-6,9-10,16H2,1-2H3,(H,26,29)