1-[(3,4-dimethoxyphenyl)methyl]-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]urea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]urea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea Traditional Name: 1-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]-3-veratryl-urea Formula: C19H25N3O5S2 MolecularWeight: 439.5489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C19H25N3O5S2/c1-26-16-7-5-14(11-17(16)27-2)12-20-19(23)21-13-15-6-8-18(28-15)29(24,25)22-9-3-4-10-22/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H2,20,21,23)