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

Systemtic Name: 3-chloranyl-N-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-[(E)-3-[4-(methylthio)phenyl]acryloyl]phenyl]benzothiophene-2-carboxamide Formula: C25H18ClNO2S2 MolecularWeight: 463.99892

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CSC1=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/C25H18ClNO2S2/c1-30-19-13-6-16(7-14-19)8-15-21(28)17-9-11-18(12-10-17)27-25(29)24-23(26)20-4-2-3-5-22(20)31-24/h2-15H,1H3,(H,27,29)/b15-8+