N-cyclopropyl-2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-[methyl(3-thienylmethyl)amino]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-[methyl(3-thiophenylmethyl)amino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-keto-2-[methyl(3-thenyl)amino]ethyl]thio]cinchoninamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C21H21N3O2S2/c1-24(11-14-8-9-27-12-14)20(25)13-28-19-10-17(21(26)22-15-6-7-15)16-4-2-3-5-18(16)23-19/h2-5,8-10,12,15H,6-7,11,13H2,1H3,(H,22,26)