4-[(5-chloranylthiophen-2-yl)methyl]-1-(3-cyanophenyl)carbonyl-N-(phenylmethyl)piperazine-2-carboxamide

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-1-(3-cyanophenyl)carbonyl-N-(phenylmethyl)piperazine-2-carboxamide Openeye Name: N-benzyl-4-[(5-chloro-2-thienyl)methyl]-1-(3-cyanobenzoyl)piperazine-2-carboxamide CAS Name: 4-[(5-chloro-2-thiophenyl)methyl]-1-[(3-cyanophenyl)-oxomethyl]-N-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: N-benzyl-4-[(5-chlorothiophen-2-yl)methyl]-1-(3-cyanobenzoyl)piperazine-2-carboxamide Traditional Name: N-benzyl-4-[(5-chloro-2-thienyl)methyl]-1-(3-cyanobenzoyl)piperazine-2-carboxamide Formula: C25H23ClN4O2S MolecularWeight: 478.99372

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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)C4=CC=CC(=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN4O2S/c26-23-10-9-21(33-23)16-29-11-12-30(25(32)20-8-4-7-19(13-20)14-27)22(17-29)24(31)28-15-18-5-2-1-3-6-18/h1-10,13,22H,11-12,15-17H2,(H,28,31)