3-chloranyl-N-[4-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[(E)-3-(4-dimethylaminophenyl)-1-oxoprop-2-enyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-[(E)-3-(4-dimethylaminophenyl)acryloyl]phenyl]benzothiophene-2-carboxamide Formula: C26H21ClN2O2S MolecularWeight: 460.97514

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C26H21ClN2O2S/c1-29(2)20-14-7-17(8-15-20)9-16-22(30)18-10-12-19(13-11-18)28-26(31)25-24(27)21-5-3-4-6-23(21)32-25/h3-16H,1-2H3,(H,28,31)/b16-9+