4-[(5-chloranylthiophen-2-yl)methyl]-N1-ethyl-N2-(phenylmethyl)piperazine-1,2-dicarboxamide

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-N1-ethyl-N2-(phenylmethyl)piperazine-1,2-dicarboxamide Openeye Name: N2-benzyl-4-[(5-chloro-2-thienyl)methyl]-N1-ethyl-piperazine-1,2-dicarboxamide CAS Name: 4-[(5-chloro-2-thiophenyl)methyl]-N1-ethyl-N2-(phenylmethyl)piperazine-1,2-dicarboxamide IUPAC Name: 2-N-benzyl-4-[(5-chlorothiophen-2-yl)methyl]-1-N-ethylpiperazine-1,2-dicarboxamide Traditional Name: N'-benzyl-4-[(5-chloro-2-thienyl)methyl]-N-ethyl-piperazine-1,2-dicarboxamide Formula: C20H25ClN4O2S MolecularWeight: 420.9561

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1C(=O)NCC2=CC=CC=C2)CC3=CC=C(S3)Cl

Isomeric SMILES

CCNC(=O)N1CCN(CC1C(=O)NCC2=CC=CC=C2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C20H25ClN4O2S/c1-2-22-20(27)25-11-10-24(13-16-8-9-18(21)28-16)14-17(25)19(26)23-12-15-6-4-3-5-7-15/h3-9,17H,2,10-14H2,1H3,(H,22,27)(H,23,26)