N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-N-piperonyl-propionamide Formula: C25H27N3O4S MolecularWeight: 465.56458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3C5CCCCC5

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3C5CCCCC5

InChI

InChI=1S/C25H27N3O4S/c1-16(23(29)26-14-17-11-12-21-22(13-17)32-15-31-21)33-25-27-20-10-6-5-9-19(20)24(30)28(25)18-7-3-2-4-8-18/h5-6,9-13,16,18H,2-4,7-8,14-15H2,1H3,(H,26,29)