1-(2-methylphenyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(2-methylphenyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(o-tolyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(2-methylphenyl)-3-[3-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2-methylphenyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(o-tolyl)-3-(3-pyrrolidinosulfonylphenyl)thiourea Formula: C18H21N3O2S2 MolecularWeight: 375.50824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H21N3O2S2/c1-14-7-2-3-10-17(14)20-18(24)19-15-8-6-9-16(13-15)25(22,23)21-11-4-5-12-21/h2-3,6-10,13H,4-5,11-12H2,1H3,(H2,19,20,24)