1-[3-(dimethylamino)propyl]-3-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-[3-(dimethylamino)propyl]-3-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-[3-(dimethylamino)propyl]-3-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea CAS Name: 1-[3-(dimethylamino)propyl]-3-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[3-(dimethylamino)propyl]-3-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-[3-(dimethylamino)propyl]-3-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)thiourea Formula: C16H26N4O3S2 MolecularWeight: 386.53264

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)O

Isomeric SMILES

CN(C)CCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)O

InChI

InChI=1S/C16H26N4O3S2/c1-19(2)9-5-8-17-16(24)18-14-12-13(6-7-15(14)21)25(22,23)20-10-3-4-11-20/h6-7,12,21H,3-5,8-11H2,1-2H3,(H2,17,18,24)