3-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: 3-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: 3-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 3-[4-(2,4-dichlorobenzoyl)piperazino]-N-[2-(methylthio)phenyl]propionamide Formula: C21H23Cl2N3O2S MolecularWeight: 452.39722

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCN2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCN2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O2S/c1-29-19-5-3-2-4-18(19)24-20(27)8-9-25-10-12-26(13-11-25)21(28)16-7-6-15(22)14-17(16)23/h2-7,14H,8-13H2,1H3,(H,24,27)