2-[2,4-bis(chloranyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide Openeye Name: 2-(2,4-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide CAS Name: 2-(2,4-dichlorophenoxy)-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide Traditional Name: 2-(2,4-dichlorophenoxy)-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]propionamide Formula: C20H21Cl2N3O4S2 MolecularWeight: 502.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O4S2/c1-13(29-18-9-4-14(21)12-17(18)22)19(26)24-20(30)23-15-5-7-16(8-6-15)31(27,28)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11H2,1H3,(H2,23,24,26,30)