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

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]butanamide Traditional Name: 4-(2,4-dichlorophenoxy)-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]butyramide Formula: C21H23Cl2N3O4S2 MolecularWeight: 516.46102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O4S2/c22-15-5-10-19(18(23)14-15)30-13-3-4-20(27)25-21(31)24-16-6-8-17(9-7-16)32(28,29)26-11-1-2-12-26/h5-10,14H,1-4,11-13H2,(H2,24,25,27,31)