4-[[[(E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoyl]-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[(E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoyl]-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[(E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoyl]-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[(E)-3-(3-chloro-1-benzothiophen-2-yl)-1-oxoprop-2-enyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[(E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[(E)-3-(3-chlorobenzothiophen-2-yl)acryloyl]-methyl-amino]methyl]-N-methyl-benzamide Formula: C21H19ClN2O2S MolecularWeight: 398.90576

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)C=CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H19ClN2O2S/c1-23-21(26)15-9-7-14(8-10-15)13-24(2)19(25)12-11-18-20(22)16-5-3-4-6-17(16)27-18/h3-12H,13H2,1-2H3,(H,23,26)/b12-11+