N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-methyl-quinazolin-2-yl)thio]-N-[(1R,2S)-2-methylcyclohexyl]acetamide Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C18H23N3O2S/c1-12-7-3-5-9-14(12)19-16(22)11-24-18-20-15-10-6-4-8-13(15)17(23)21(18)2/h4,6,8,10,12,14H,3,5,7,9,11H2,1-2H3,(H,19,22)/t12-,14+/m0/s1