1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)thiourea

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)thiourea Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)thiourea CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)thiourea IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)thiourea Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)thiourea Formula: C24H25N3O4S2 MolecularWeight: 483.603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C24H25N3O4S2/c1-30-21-13-20(14-22(15-21)31-2)26-24(32)25-19-7-9-23(10-8-19)33(28,29)27-12-11-17-5-3-4-6-18(17)16-27/h3-10,13-15H,11-12,16H2,1-2H3,(H2,25,26,32)