2-(1-adamantyl)-N-[[(4-nitrophenyl)amino]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[(4-nitrophenyl)amino]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(4-nitroanilino)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(4-nitrophenyl)hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(4-nitroanilino)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(4-nitroanilino)thiocarbamoyl]acetamide Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O3S/c24-17(11-19-8-12-5-13(9-19)7-14(6-12)10-19)20-18(27)22-21-15-1-3-16(4-2-15)23(25)26/h1-4,12-14,21H,5-11H2,(H2,20,22,24,27)