2-[1-(butylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[1-(butylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(butylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[1-[[butylamino(oxo)methyl]amino]-1-oxopropan-2-yl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[1-(butylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(butylcarbamoylamino)-2-keto-1-methyl-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

Isomeric SMILES

CCCCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

InChI

InChI=1S/C21H26N4O3S/c1-3-4-11-22-21(28)25-19(26)13(2)29-18-12-16(20(27)23-14-9-10-14)15-7-5-6-8-17(15)24-18/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,23,27)(H2,22,25,26,28)