3,6-bis(chloranyl)-N-[4-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[4-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[4-(2-methylpropanoylamino)phenyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[4-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[4-(isobutyrylamino)phenyl]benzothiophene-2-carboxamide Formula: C19H16Cl2N2O2S MolecularWeight: 407.31354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H16Cl2N2O2S/c1-10(2)18(24)22-12-4-6-13(7-5-12)23-19(25)17-16(21)14-8-3-11(20)9-15(14)26-17/h3-10H,1-2H3,(H,22,24)(H,23,25)