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

Systemtic Name: 3,6-bis(chloranyl)-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[4-(isobutyrylamino)-3-methoxy-phenyl]benzothiophene-2-carboxamide Formula: C20H18Cl2N2O3S MolecularWeight: 437.33952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N2O3S/c1-10(2)19(25)24-14-7-5-12(9-15(14)27-3)23-20(26)18-17(22)13-6-4-11(21)8-16(13)28-18/h4-10H,1-3H3,(H,23,26)(H,24,25)