3-[2-(cyclohexen-1-yl)ethyl]-N-(3-methylbutyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-(3-methylbutyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-isopentyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-N-(3-methylbutyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-(3-methylbutyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-isoamyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CCCCC3

Isomeric SMILES

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CCCCC3

InChI

InChI=1S/C22H29N3O2S/c1-15(2)10-12-23-20(26)17-8-9-18-19(14-17)24-22(28)25(21(18)27)13-11-16-6-4-3-5-7-16/h6,8-9,14-15H,3-5,7,10-13H2,1-2H3,(H,23,26)(H,24,28)