N-[2-[2-(3,4-dimethylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[2-(3,4-dimethylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[2-(3,4-dimethylphenyl)sulfanylethylamino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[2-[(3,4-dimethylphenyl)thio]ethylamino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[2-(3,4-dimethylphenyl)sulfanylethylamino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[2-[(3,4-dimethylphenyl)thio]ethylamino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C23H32N2O2S MolecularWeight: 400.57738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C23H32N2O2S/c1-15-3-4-20(7-16(15)2)28-6-5-24-21(26)14-25-22(27)23-11-17-8-18(12-23)10-19(9-17)13-23/h3-4,7,17-19H,5-6,8-14H2,1-2H3,(H,24,26)(H,25,27)