1-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-(4-phenoxyphenyl)thiourea CAS Name: 1-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-3-(4-phenoxyphenyl)thiourea Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O4S2/c27-22-13-12-20(32(28,29)26-14-4-5-15-26)16-21(22)25-23(31)24-17-8-10-19(11-9-17)30-18-6-2-1-3-7-18/h1-3,6-13,16,27H,4-5,14-15H2,(H2,24,25,31)