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

Systemtic Name: 3-chloranyl-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(isobutyrylamino)-3-methoxy-phenyl]benzothiophene-2-carboxamide Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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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=CC=CC=C3S2)Cl)OC

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC

InChI

InChI=1S/C20H19ClN2O3S/c1-11(2)19(24)23-14-9-8-12(10-15(14)26-3)22-20(25)18-17(21)13-6-4-5-7-16(13)27-18/h4-11H,1-3H3,(H,22,25)(H,23,24)