1-[3-(dimethylsulfamoyl)phenyl]-3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiourea

Systemtic Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiourea Openeye Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea CAS Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]thiourea IUPAC Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea Traditional Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea Formula: C20H27N4O2S2+ MolecularWeight: 419.58398

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O2S2/c1-23(2)28(25,26)19-10-6-9-17(13-19)21-20(27)22-18-11-12-24(15-18)14-16-7-4-3-5-8-16/h3-10,13,18H,11-12,14-15H2,1-2H3,(H2,21,22,27)/p+1/t18-/m0/s1