N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-2-(3-pyridyl)cinchoninamide Formula: C21H17N5O2S2 MolecularWeight: 435.52198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)SCC(=O)N

InChI

InChI=1S/C21H17N5O2S2/c1-12-20(29-11-18(22)27)30-21(24-12)26-19(28)15-9-17(13-5-4-8-23-10-13)25-16-7-3-2-6-14(15)16/h2-10H,11H2,1H3,(H2,22,27)(H,24,26,28)