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

Systemtic Name: 2-(1-adamantyl)-N-[(4-methyl-2-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(4-methyl-2-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(4-methyl-2-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(4-methyl-2-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(4-methyl-2-nitro-phenyl)thiocarbamoyl]acetamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O3S/c1-12-2-3-16(17(4-12)23(25)26)21-19(27)22-18(24)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,13-15H,5-11H2,1H3,(H2,21,22,24,27)