3-chloranyl-N-[2-[[2-methyl-5-(2-methylpropanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[[2-methyl-5-(2-methylpropanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[2-methyl-5-[(2-methyl-1-oxopropyl)amino]anilino]-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-[5-(isobutyrylamino)-2-methyl-anilino]-2-keto-ethyl]benzothiophene-2-carboxamide Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H22ClN3O3S/c1-12(2)21(28)25-14-9-8-13(3)16(10-14)26-18(27)11-24-22(29)20-19(23)15-6-4-5-7-17(15)30-20/h4-10,12H,11H2,1-3H3,(H,24,29)(H,25,28)(H,26,27)