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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-veratryl-urea Formula: C24H25N3O4S MolecularWeight: 451.538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2)OC

InChI

InChI=1S/C24H25N3O4S/c1-30-20-8-5-16(12-21(20)31-2)14-25-24(29)26-19-7-6-17-9-10-27(15-18(17)13-19)23(28)22-4-3-11-32-22/h3-8,11-13H,9-10,14-15H2,1-2H3,(H2,25,26,29)