N-(3-chloranyl-4-fluoranyl-phenyl)-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-methyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-keto-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C21H16ClFN2O2S MolecularWeight: 414.880343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=CC(=C(C=C3)F)Cl)C4=CC=CS4

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=CC(=C(C=C3)F)Cl)C4=CC=CS4

InChI

InChI=1S/C21H16ClFN2O2S/c1-25-19(17-7-4-10-28-17)18(13-5-2-3-6-14(13)21(25)27)20(26)24-12-8-9-16(23)15(22)11-12/h2-11,18-19H,1H3,(H,24,26)