2-(1-adamantyl)-N-[(3-nitrophenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(3-nitrophenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(3-nitrophenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(3-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(3-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(3-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(11-19-8-12-4-13(9-19)6-14(5-12)10-19)21-18(26)20-15-2-1-3-16(7-15)22(24)25/h1-3,7,12-14H,4-6,8-11H2,(H2,20,21,23,26)