4-(1-adamantyl)-N-[(2S)-1-diazanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]quinoline-2-carboxamide

Systemtic Name: 4-(1-adamantyl)-N-[(2S)-1-diazanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]quinoline-2-carboxamide Openeye Name: 4-(1-adamantyl)-N-[(1S)-1-(hydrazinecarbonyl)-3-methylsulfanyl-propyl]quinoline-2-carboxamide CAS Name: 4-(1-adamantyl)-N-[(2S)-1-hydrazinyl-4-(methylthio)-1-oxobutan-2-yl]-2-quinolinecarboxamide IUPAC Name: 4-(1-adamantyl)-N-[(2S)-1-hydrazinyl-4-methylsulfanyl-1-oxobutan-2-yl]quinoline-2-carboxamide Traditional Name: 4-(1-adamantyl)-N-[(1S)-1-carbazoyl-3-(methylthio)propyl]quinaldamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NN)NC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSCC[C@@H](C(=O)NN)NC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N4O2S/c1-32-7-6-21(24(31)29-26)28-23(30)22-11-19(18-4-2-3-5-20(18)27-22)25-12-15-8-16(13-25)10-17(9-15)14-25/h2-5,11,15-17,21H,6-10,12-14,26H2,1H3,(H,28,30)(H,29,31)/t15?,16?,17?,21-,25?/m0/s1