N-[[(Z)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[(Z)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[(Z)-(1-methyl-2-oxo-indolin-3-ylidene)amino]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[(2Z)-2-(1-methyl-2-oxo-3-indolylidene)hydrazinyl]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[(Z)-(1-methyl-2-oxoindol-3-ylidene)amino]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[(Z)-(2-keto-1-methyl-indolin-3-ylidene)amino]thiocarbamoyl]adamantane-1-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NNC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4)C1=O

Isomeric SMILES

CN1C2=CC=CC=C2/C(=N/NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4)/C1=O

InChI

InChI=1S/C21H24N4O2S/c1-25-16-5-3-2-4-15(16)17(18(25)26)23-24-20(28)22-19(27)21-9-12-6-13(10-21)8-14(7-12)11-21/h2-5,12-14H,6-11H2,1H3,(H2,22,24,27,28)/b23-17-