1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-veratryl-urea Formula: C22H29N3O5S MolecularWeight: 447.54776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H29N3O5S/c1-4-11-31(27,28)25-10-9-17-6-7-19(13-18(17)15-25)24-22(26)23-14-16-5-8-20(29-2)21(12-16)30-3/h5-8,12-13H,4,9-11,14-15H2,1-3H3,(H2,23,24,26)