3-[2-(cyclohexen-1-yl)ethyl]-7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C26H27N3O2S MolecularWeight: 445.57648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)NC2=S

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)NC2=S

InChI

InChI=1S/C26H27N3O2S/c30-24(28-14-13-19-8-4-5-9-21(19)17-28)20-10-11-22-23(16-20)27-26(32)29(25(22)31)15-12-18-6-2-1-3-7-18/h4-6,8-11,16H,1-3,7,12-15,17H2,(H,27,32)