3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H21N3O2S/c25-19(23-13-11-15-6-1-2-7-16(15)14-23)10-5-12-24-20(26)17-8-3-4-9-18(17)22-21(24)27/h1-4,6-9H,5,10-14H2,(H,22,27)