4-[(5-chloranylthiophen-2-yl)methyl]-N1-(3-cyanophenyl)-N2-(phenylmethyl)piperazine-1,2-dicarboxamide

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-N1-(3-cyanophenyl)-N2-(phenylmethyl)piperazine-1,2-dicarboxamide Openeye Name: N2-benzyl-4-[(5-chloro-2-thienyl)methyl]-N1-(3-cyanophenyl)piperazine-1,2-dicarboxamide CAS Name: 4-[(5-chloro-2-thiophenyl)methyl]-N1-(3-cyanophenyl)-N2-(phenylmethyl)piperazine-1,2-dicarboxamide IUPAC Name: 2-N-benzyl-4-[(5-chlorothiophen-2-yl)methyl]-1-N-(3-cyanophenyl)piperazine-1,2-dicarboxamide Traditional Name: N'-benzyl-4-[(5-chloro-2-thienyl)methyl]-N-(3-cyanophenyl)piperazine-1,2-dicarboxamide Formula: C25H24ClN5O2S MolecularWeight: 494.00836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=C(S2)Cl)C(=O)NCC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(C(CN1CC2=CC=C(S2)Cl)C(=O)NCC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H24ClN5O2S/c26-23-10-9-21(34-23)16-30-11-12-31(25(33)29-20-8-4-7-19(13-20)14-27)22(17-30)24(32)28-15-18-5-2-1-3-6-18/h1-10,13,22H,11-12,15-17H2,(H,28,32)(H,29,33)