2-(1-adamantyl)-N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(2-bromo-4-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(2-bromo-4-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]acetamide Formula: C19H22BrN3O3S MolecularWeight: 452.36528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O3S/c20-15-6-14(23(25)26)1-2-16(15)21-18(27)22-17(24)10-19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13H,3-5,7-10H2,(H2,21,22,24,27)