3-chloranyl-N-[2-[[3-(2-methylpropanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[[3-(2-methylpropanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[3-[(2-methyl-1-oxopropyl)amino]anilino]-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-[3-(isobutyrylamino)anilino]-2-keto-ethyl]benzothiophene-2-carboxamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3S/c1-12(2)20(27)25-14-7-5-6-13(10-14)24-17(26)11-23-21(28)19-18(22)15-8-3-4-9-16(15)29-19/h3-10,12H,11H2,1-2H3,(H,23,28)(H,24,26)(H,25,27)