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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-methyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-1-keto-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C22H19BrN2O2S MolecularWeight: 455.36746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=CS4

InChI

InChI=1S/C22H19BrN2O2S/c1-13-12-14(23)9-10-17(13)24-21(26)19-15-6-3-4-7-16(15)22(27)25(2)20(19)18-8-5-11-28-18/h3-12,19-20H,1-2H3,(H,24,26)