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

Systemtic Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-3-chloranyl-4-methyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-4-methyl-N-[2-(sec-butylcarbamoyl)phenyl]benzothiophene-2-carboxamide CAS Name: N-[2-[(butan-2-ylamino)-oxomethyl]phenyl]-3-chloro-4-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-3-chloro-4-methyl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-4-methyl-N-[2-(sec-butylcarbamoyl)phenyl]benzothiophene-2-carboxamide Formula: C21H21ClN2O2S MolecularWeight: 400.92164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=C(C=CC=C3S2)C)Cl

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=C(C=CC=C3S2)C)Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-4-13(3)23-20(25)14-9-5-6-10-15(14)24-21(26)19-18(22)17-12(2)8-7-11-16(17)27-19/h5-11,13H,4H2,1-3H3,(H,23,25)(H,24,26)