2-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(3-chlorobenzothiophene-2-carbonyl)piperazin-1-yl]acetamide CAS Name: 2-[4-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(3-chlorobenzothiophene-2-carbonyl)piperazino]acetamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H22ClN3O2S/c23-20-17-8-4-5-9-18(17)29-21(20)22(28)26-12-10-25(11-13-26)15-19(27)24-14-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,24,27)