2-[(5-chloranylthiophen-2-yl)methylsulfanyl]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]ethanamide Openeye Name: 2-[(5-chloro-2-thienyl)methylsulfanyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]acetamide CAS Name: 2-[(5-chloro-2-thiophenyl)methylthio]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]acetamide IUPAC Name: 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-[(5-chloro-2-thienyl)methylthio]-N-[6-(3-ketopiperazino)-3-pyridyl]acetamide Formula: C16H17ClN4O2S2 MolecularWeight: 396.91478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CSCC3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CSCC3=CC=C(S3)Cl

InChI

InChI=1S/C16H17ClN4O2S2/c17-13-3-2-12(25-13)9-24-10-16(23)20-11-1-4-14(19-7-11)21-6-5-18-15(22)8-21/h1-4,7H,5-6,8-10H2,(H,18,22)(H,20,23)