N-cyclopropyl-2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl]thio]cinchoninamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

InChI

InChI=1S/C22H25N3O2S/c1-4-22(5-2,6-3)25-19(26)14-28-20-13-17(21(27)23-15-11-12-15)16-9-7-8-10-18(16)24-20/h1,7-10,13,15H,5-6,11-12,14H2,2-3H3,(H,23,27)(H,25,26)