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

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]propanamide Openeye Name: 2-(2,4-dichlorophenoxy)-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]propanamide CAS Name: 2-(2,4-dichlorophenoxy)-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]propanamide Traditional Name: 2-(2,4-dichlorophenoxy)-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]propionamide Formula: C21H23Cl2N3O4S2 MolecularWeight: 516.46102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)OC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)OC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O4S2/c1-14(30-19-10-5-15(22)13-18(19)23)20(27)25-21(31)24-16-6-8-17(9-7-16)32(28,29)26-11-3-2-4-12-26/h5-10,13-14H,2-4,11-12H2,1H3,(H2,24,25,27,31)