1-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C19H23N3O4S2 MolecularWeight: 421.53362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C19H23N3O4S2/c1-25-17-10-7-15(13-18(17)26-2)21-19(27)20-14-5-8-16(9-6-14)28(23,24)22-11-3-4-12-22/h5-10,13H,3-4,11-12H2,1-2H3,(H2,20,21,27)