2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(3-chloranyl-4-cyano-phenyl)ethanamide

Systemtic Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(3-chloranyl-4-cyano-phenyl)ethanamide Openeye Name: 2-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(3-chloro-4-cyano-phenyl)acetamide CAS Name: 2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-N-(3-chloro-4-cyanophenyl)acetamide IUPAC Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide Traditional Name: 2-[4-(benzothiophen-3-ylmethyl)piperazino]-N-(3-chloro-4-cyano-phenyl)acetamide Formula: C22H21ClN4OS MolecularWeight: 424.94634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC3=CC=CC=C32)CC(=O)NC4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

C1CN(CCN1CC2=CSC3=CC=CC=C32)CC(=O)NC4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C22H21ClN4OS/c23-20-11-18(6-5-16(20)12-24)25-22(28)14-27-9-7-26(8-10-27)13-17-15-29-21-4-2-1-3-19(17)21/h1-6,11,15H,7-10,13-14H2,(H,25,28)