N-cyclopropyl-2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[1-[(5-methylisoxazol-3-yl)carbamoyl]propylsulfanyl]quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[1-[(5-methylisoxazol-3-yl)carbamoyl]propylthio]cinchoninamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C21H22N4O3S/c1-3-17(21(27)24-18-10-12(2)28-25-18)29-19-11-15(20(26)22-13-8-9-13)14-6-4-5-7-16(14)23-19/h4-7,10-11,13,17H,3,8-9H2,1-2H3,(H,22,26)(H,24,25,27)