1-chloranyl-N-(3-ethanoylphenyl)benzo[e][1]benzothiole-2-carboxamide

Systemtic Name: 1-chloranyl-N-(3-ethanoylphenyl)benzo[e][1]benzothiole-2-carboxamide Openeye Name: N-(3-acetylphenyl)-1-chloro-benzo[e]benzothiophene-2-carboxamide CAS Name: N-(3-acetylphenyl)-1-chloro-2-benzo[e][1]benzothiolecarboxamide IUPAC Name: N-(3-acetylphenyl)-1-chlorobenzo[e][1]benzothiole-2-carboxamide Traditional Name: N-(3-acetylphenyl)-1-chloro-benzo[e]benzothiophene-2-carboxamide Formula: C21H14ClNO2S MolecularWeight: 379.85936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C21H14ClNO2S/c1-12(24)14-6-4-7-15(11-14)23-21(25)20-19(22)18-16-8-3-2-5-13(16)9-10-17(18)26-20/h2-11H,1H3,(H,23,25)