N-(2,3-dimethylcyclohexyl)-4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxamide Formula: C24H33N3O2S MolecularWeight: 427.60272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C24H33N3O2S/c1-15-6-5-9-20(16(15)2)25-22(28)18-12-10-17(11-13-18)14-27-23(29)19-7-3-4-8-21(19)26-24(27)30/h3-4,7-8,15-18,20H,5-6,9-14H2,1-2H3,(H,25,28)(H,26,30)