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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC1CCC(CC1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H29N3O2S/c1-15-10-12-16(13-11-15)22-19(25)9-3-2-6-14-24-20(26)17-7-4-5-8-18(17)23-21(24)27/h4-5,7-8,15-16H,2-3,6,9-14H2,1H3,(H,22,25)(H,23,27)