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

Systemtic Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-5-bromanyl-2-methoxy-benzamide Openeye Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-5-bromo-2-methoxy-benzamide CAS Name: N-[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]-5-bromo-2-methoxybenzamide IUPAC Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-5-bromo-2-methoxybenzamide Traditional Name: N-[1-(1-adamantyl)ethylthiocarbamoyl]-5-bromo-2-methoxy-benzamide Formula: C21H27BrN2O2S MolecularWeight: 451.42028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C21H27BrN2O2S/c1-12(21-9-13-5-14(10-21)7-15(6-13)11-21)23-20(27)24-19(25)17-8-16(22)3-4-18(17)26-2/h3-4,8,12-15H,5-7,9-11H2,1-2H3,(H2,23,24,25,27)