N-cyclopropyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-[ethyl(2-methylallyl)amino]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-[ethyl(2-methylallyl)amino]-2-keto-ethyl]thio]cinchoninamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

Isomeric SMILES

CCN(CC(=C)C)C(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

InChI

InChI=1S/C21H25N3O2S/c1-4-24(12-14(2)3)20(25)13-27-19-11-17(21(26)22-15-9-10-15)16-7-5-6-8-18(16)23-19/h5-8,11,15H,2,4,9-10,12-13H2,1,3H3,(H,22,26)