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

Systemtic Name: 4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-pentyl-cyclohexane-1-carboxamide Openeye Name: 4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-N-pentyl-cyclohexanecarboxamide CAS Name: 4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-pentyl-1-cyclohexanecarboxamide IUPAC Name: 4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-pentylcyclohexane-1-carboxamide Traditional Name: N-amyl-4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1CCC(CC1)CN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCCCCNC(=O)C1CCC(CC1)CN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H29N3O2S/c1-2-3-6-13-22-19(25)16-11-9-15(10-12-16)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)