(E)-3-(3-chloranyl-1-benzothiophen-2-yl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-1-benzothiophen-2-yl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]prop-2-enamide Openeye Name: (E)-3-(3-chlorobenzothiophen-2-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]prop-2-enamide CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]prop-2-enamide Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)-N-[6-(3-ketopiperazino)-3-pyridyl]acrylamide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C=CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)/C=C/C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H17ClN4O2S/c21-20-14-3-1-2-4-15(14)28-16(20)6-8-18(26)24-13-5-7-17(23-11-13)25-10-9-22-19(27)12-25/h1-8,11H,9-10,12H2,(H,22,27)(H,24,26)/b8-6+