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

Systemtic Name: 2-(1-adamantyl)-N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-(diethylamino)-2-methylanilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(diethylamino)-2-methylphenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(diethylamino)-2-methyl-phenyl]thiocarbamoyl]acetamide Formula: C24H35N3OS MolecularWeight: 413.6192

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C24H35N3OS/c1-4-27(5-2)20-6-7-21(16(3)8-20)25-23(29)26-22(28)15-24-12-17-9-18(13-24)11-19(10-17)14-24/h6-8,17-19H,4-5,9-15H2,1-3H3,(H2,25,26,28,29)