1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)thiourea Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O

InChI

InChI=1S/C19H23N3O3S2/c1-13-5-6-14(2)16(11-13)20-19(26)21-17-12-15(7-8-18(17)23)27(24,25)22-9-3-4-10-22/h5-8,11-12,23H,3-4,9-10H2,1-2H3,(H2,20,21,26)