N-[4-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[4-(2,4-dichlorobenzoyl)piperazino]-4-keto-butyl]thiophene-3-carboxamide Formula: C20H21Cl2N3O3S MolecularWeight: 454.37004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCNC(=O)C2=CSC=C2)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CCCNC(=O)C2=CSC=C2)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O3S/c21-15-3-4-16(17(22)12-15)20(28)25-9-7-24(8-10-25)18(26)2-1-6-23-19(27)14-5-11-29-13-14/h3-5,11-13H,1-2,6-10H2,(H,23,27)