N-[1-(1-adamantyl)ethylcarbamothioyl]-5-bromanyl-2-methoxy-3-methyl-benzamide

Systemtic Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-5-bromanyl-2-methoxy-3-methyl-benzamide Openeye Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-[1-(1-adamantyl)ethylthiocarbamoyl]-5-bromo-2-methoxy-3-methyl-benzamide Formula: C22H29BrN2O2S MolecularWeight: 465.44686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN2O2S/c1-12-4-17(23)8-18(19(12)27-3)20(26)25-21(28)24-13(2)22-9-14-5-15(10-22)7-16(6-14)11-22/h4,8,13-16H,5-7,9-11H2,1-3H3,(H2,24,25,26,28)