1-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2-thienylmethyl)thiourea CAS Name: 1-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-3-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-3-(2-thenyl)thiourea Formula: C16H19N3O3S3 MolecularWeight: 397.53536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=S)NCC3=CC=CS3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=S)NCC3=CC=CS3

InChI

InChI=1S/C16H19N3O3S3/c20-15-6-5-13(25(21,22)19-7-1-2-8-19)10-14(15)18-16(23)17-11-12-4-3-9-24-12/h3-6,9-10,20H,1-2,7-8,11H2,(H2,17,18,23)