3-chloranyl-N-[4-methyl-2-(pyridin-3-ylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-methyl-2-(pyridin-3-ylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-methyl-2-(3-pyridylcarbamoyl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-methyl-2-[oxo-(3-pyridinylamino)methyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-methyl-2-(pyridin-3-ylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-methyl-2-(3-pyridylcarbamoyl)phenyl]benzothiophene-2-carboxamide Formula: C22H16ClN3O2S MolecularWeight: 421.89934

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O2S/c1-13-8-9-17(16(11-13)21(27)25-14-5-4-10-24-12-14)26-22(28)20-19(23)15-6-2-3-7-18(15)29-20/h2-12H,1H3,(H,25,27)(H,26,28)