1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea CAS Name: 1-[(1-ethyl-2-pyrrolidinyl)methyl]-3-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)thiourea Formula: C18H28N4O3S2 MolecularWeight: 412.56992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O

Isomeric SMILES

CCN1CCCC1CNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O

InChI

InChI=1S/C18H28N4O3S2/c1-2-21-9-5-6-14(21)13-19-18(26)20-16-12-15(7-8-17(16)23)27(24,25)22-10-3-4-11-22/h7-8,12,14,23H,2-6,9-11,13H2,1H3,(H2,19,20,26)