1-(3-methoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(3-methoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(3-methoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(3-methoxyphenyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(3-methoxyphenyl)-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C18H21N3O3S2 MolecularWeight: 391.50764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S2/c1-24-16-6-4-5-15(13-16)20-18(25)19-14-7-9-17(10-8-14)26(22,23)21-11-2-3-12-21/h4-10,13H,2-3,11-12H2,1H3,(H2,19,20,25)