N-[1-(1-adamantyl)ethylcarbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[1-(1-adamantyl)ethylthiocarbamoyl]-3,5-dimethyl-benzamide Formula: C22H30N2OS MolecularWeight: 370.5514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC(C)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC(C)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H30N2OS/c1-13-4-14(2)6-19(5-13)20(25)24-21(26)23-15(3)22-10-16-7-17(11-22)9-18(8-16)12-22/h4-6,15-18H,7-12H2,1-3H3,(H2,23,24,25,26)