5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)-1-(4-ethoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)-1-p-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H21N3O3S MolecularWeight: 407.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CN3CCC4=CC=CC=C4C3)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=CN3CCC4=CC=CC=C4C3)C(=O)NC2=S

InChI

InChI=1S/C22H21N3O3S/c1-2-28-18-9-7-17(8-10-18)25-21(27)19(20(26)23-22(25)29)14-24-12-11-15-5-3-4-6-16(15)13-24/h3-10,14H,2,11-13H2,1H3,(H,23,26,29)