1-[(2S)-2-ethylhexyl]-3-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)thiourea Formula: C19H31N3O3S2 MolecularWeight: 413.59774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)O

InChI

InChI=1S/C19H31N3O3S2/c1-3-5-8-15(4-2)14-20-19(26)21-17-13-16(9-10-18(17)23)27(24,25)22-11-6-7-12-22/h9-10,13,15,23H,3-8,11-12,14H2,1-2H3,(H2,20,21,26)/t15-/m0/s1