2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]piperazin-1-yl]-N-benzyl-acetamide CAS Name: 2-[4-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-1-piperazinyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]piperazin-1-yl]-N-benzylacetamide Traditional Name: 2-[4-[2-(1,3-benzoxazol-2-ylthio)acetyl]piperazino]-N-benzyl-acetamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H24N4O3S/c27-20(23-14-17-6-2-1-3-7-17)15-25-10-12-26(13-11-25)21(28)16-30-22-24-18-8-4-5-9-19(18)29-22/h1-9H,10-16H2,(H,23,27)