(E)-3-(3-chloranyl-1-benzothiophen-2-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-1-benzothiophen-2-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(3-chlorobenzothiophen-2-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-N-[2-(4-methyl-1-piperazinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)-N-[2-(4-methylpiperazino)phenyl]acrylamide Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2NC(=O)C=CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2NC(=O)/C=C/C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H22ClN3OS/c1-25-12-14-26(15-13-25)18-8-4-3-7-17(18)24-21(27)11-10-20-22(23)16-6-2-5-9-19(16)28-20/h2-11H,12-15H2,1H3,(H,24,27)/b11-10+