1-methyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-methyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-methyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-methyl-3-[3-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-methyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-methyl-3-(3-pyrrolidinosulfonylphenyl)thiourea Formula: C12H17N3O2S2 MolecularWeight: 299.41228

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CNC(=S)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C12H17N3O2S2/c1-13-12(18)14-10-5-4-6-11(9-10)19(16,17)15-7-2-3-8-15/h4-6,9H,2-3,7-8H2,1H3,(H2,13,14,18)