1-(3,5-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2S2/c1-14-11-15(2)13-17(12-14)21-19(25)20-16-5-7-18(8-6-16)26(23,24)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H2,20,21,25)