3-(2-chlorophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide

Systemtic Name: 3-(2-chlorophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide Traditional Name: 3-(2-chlorophenyl)-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]propionamide Formula: C20H22ClN3O3S2 MolecularWeight: 451.98998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClN3O3S2/c21-18-6-2-1-5-15(18)7-12-19(25)23-20(28)22-16-8-10-17(11-9-16)29(26,27)24-13-3-4-14-24/h1-2,5-6,8-11H,3-4,7,12-14H2,(H2,22,23,25,28)