3-chloranyl-N-[(E)-1-[3-(2-methylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(E)-1-[3-(2-methylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(E)-1-[3-(2-methylpropanoylamino)phenyl]ethylideneamino]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(E)-1-[3-[(2-methyl-1-oxopropyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(E)-1-[3-(2-methylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(E)-1-[3-(isobutyrylamino)phenyl]ethylideneamino]benzothiophene-2-carboxamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O2S/c1-12(2)20(26)23-15-8-6-7-14(11-15)13(3)24-25-21(27)19-18(22)16-9-4-5-10-17(16)28-19/h4-12H,1-3H3,(H,23,26)(H,25,27)/b24-13+