N-methyl-N-(4-methylcyclohexyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-methyl-N-(4-methylcyclohexyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide CAS Name: N-methyl-N-(4-methylcyclohexyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-methyl-N-(4-methylcyclohexyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-methyl-N-(4-methylcyclohexyl)acetamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C

Isomeric SMILES

CC1CCC(CC1)N(C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C22H31N3O2S/c1-15(2)13-25-21(27)18-7-5-6-8-19(18)23-22(25)28-14-20(26)24(4)17-11-9-16(3)10-12-17/h5-8,15-17H,9-14H2,1-4H3