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

Systemtic Name: N-cyclopropyl-2-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclopropyl-2-[3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cyclopropyl-2-[[3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-cyclopropyl-2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-cyclopropyl-2-[[4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CC4

InChI

InChI=1S/C21H21N3O3S/c1-13-7-10-18(27-2)17(11-13)24-20(26)15-5-3-4-6-16(15)23-21(24)28-12-19(25)22-14-8-9-14/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,22,25)