2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-[2-(1-cyclohexenyl)ethyl]acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-keto-3-piperonyl-quinazolin-2-yl)thio]acetamide Formula: C26H27N3O4S MolecularWeight: 477.57528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O4S/c30-24(27-13-12-18-6-2-1-3-7-18)16-34-26-28-21-9-5-4-8-20(21)25(31)29(26)15-19-10-11-22-23(14-19)33-17-32-22/h4-6,8-11,14H,1-3,7,12-13,15-17H2,(H,27,30)