N-(1-adamantylcarbamothioyl)-3-bromanyl-4-ethoxy-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-3-bromanyl-4-ethoxy-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-3-bromo-4-ethoxy-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3-bromo-4-ethoxybenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-3-bromo-4-ethoxy-benzamide Formula: C20H25BrN2O2S MolecularWeight: 437.3937

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)Br

InChI

InChI=1S/C20H25BrN2O2S/c1-2-25-17-4-3-15(8-16(17)21)18(24)22-19(26)23-20-9-12-5-13(10-20)7-14(6-12)11-20/h3-4,8,12-14H,2,5-7,9-11H2,1H3,(H2,22,23,24,26)