N-[3-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-3-oxidanylidene-1-thiophen-2-yl-propyl]ethanamide

Systemtic Name: N-[3-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-3-oxidanylidene-1-thiophen-2-yl-propyl]ethanamide Openeye Name: N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxo-1-(2-thienyl)propyl]acetamide CAS Name: N-[3-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide IUPAC Name: N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide Traditional Name: N-[3-[4-(2,4-dichlorobenzoyl)piperazino]-3-keto-1-(2-thienyl)propyl]acetamide Formula: C20H21Cl2N3O3S MolecularWeight: 454.37004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)N1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CS3

InChI

InChI=1S/C20H21Cl2N3O3S/c1-13(26)23-17(18-3-2-10-29-18)12-19(27)24-6-8-25(9-7-24)20(28)15-5-4-14(21)11-16(15)22/h2-5,10-11,17H,6-9,12H2,1H3,(H,23,26)