N-[bis(azanyl)methylidene]-2-(2-propan-2-ylphenyl)quinoline-4-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-2-(2-propan-2-ylphenyl)quinoline-4-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-2-(2-isopropylphenyl)quinoline-4-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-2-(2-propan-2-ylphenyl)-4-quinolinecarboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-2-(2-propan-2-ylphenyl)quinoline-4-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-2-o-cumenyl-cinchoninamide; mesylic acid Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C20H20N4O.CH4O3S/c1-12(2)13-7-3-4-8-14(13)18-11-16(19(25)24-20(21)22)15-9-5-6-10-17(15)23-18;1-5(2,3)4/h3-12H,1-2H3,(H4,21,22,24,25);1H3,(H,2,3,4)