N-(2-methylcyclohexyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(2-methylcyclohexyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(2-methylcyclohexyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(2-methylcyclohexyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(2-methylcyclohexyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(2-methylcyclohexyl)hexanamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC1CCCCC1NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H29N3O2S/c1-15-9-4-6-11-17(15)22-19(25)13-3-2-8-14-24-20(26)16-10-5-7-12-18(16)23-21(24)27/h5,7,10,12,15,17H,2-4,6,8-9,11,13-14H2,1H3,(H,22,25)(H,23,27)