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

Systemtic Name: 2-(1-adamantyl)-N-[(2-nitrophenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(2-nitrophenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(2-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(2-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(2-nitrophenyl)thiocarbamoyl]acetamide Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O3S/c23-17(11-19-8-12-5-13(9-19)7-14(6-12)10-19)21-18(26)20-15-3-1-2-4-16(15)22(24)25/h1-4,12-14H,5-11H2,(H2,20,21,23,26)