1-(2-ethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(2-ethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(2-ethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(2-ethoxyphenyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2-ethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-o-phenetyl-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C19H23N3O3S2 MolecularWeight: 405.53422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H23N3O3S2/c1-2-25-18-8-4-3-7-17(18)21-19(26)20-15-9-11-16(12-10-15)27(23,24)22-13-5-6-14-22/h3-4,7-12H,2,5-6,13-14H2,1H3,(H2,20,21,26)