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

Systemtic Name: 2-[1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=C4)C(=O)NC6CC6

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=C4)C(=O)NC6CC6

InChI

InChI=1S/C27H32N4O3S/c1-15(24(32)30-26(34)31-27-12-16-8-17(13-27)10-18(9-16)14-27)35-23-11-21(25(33)28-19-6-7-19)20-4-2-3-5-22(20)29-23/h2-5,11,15-19H,6-10,12-14H2,1H3,(H,28,33)(H2,30,31,32,34)