1-[2-(phenylmethylsulfanyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea

Systemtic Name: 1-[2-(phenylmethylsulfanyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea Openeye Name: 1-(2-benzylsulfanylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea CAS Name: 1-[2-(phenylmethylthio)ethyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]urea IUPAC Name: 1-(2-benzylsulfanylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea Traditional Name: 1-[2-(benzylthio)ethyl]-3-(4-pyrrolidinosulfonylphenyl)urea Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S2/c24-20(21-12-15-27-16-17-6-2-1-3-7-17)22-18-8-10-19(11-9-18)28(25,26)23-13-4-5-14-23/h1-3,6-11H,4-5,12-16H2,(H2,21,22,24)