3-chloranyl-N-[2-[(4-cyanophenyl)carbamoyl]-4-methyl-phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[(4-cyanophenyl)carbamoyl]-4-methyl-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[(4-cyanophenyl)carbamoyl]-4-methyl-phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[(4-cyanoanilino)-oxomethyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[(4-cyanophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-[(4-cyanophenyl)carbamoyl]-4-methyl-phenyl]benzothiophene-2-carboxamide Formula: C24H16ClN3O2S MolecularWeight: 445.92074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H16ClN3O2S/c1-14-6-11-19(18(12-14)23(29)27-16-9-7-15(13-26)8-10-16)28-24(30)22-21(25)17-4-2-3-5-20(17)31-22/h2-12H,1H3,(H,27,29)(H,28,30)