N-(2-adamantylcarbamothioyl)-3-bromanyl-4-ethoxy-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-3-bromanyl-4-ethoxy-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-3-bromo-4-ethoxy-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-3-bromo-4-ethoxybenzamide Traditional Name: N-(2-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)NC2C3CC4CC(C3)CC2C4)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)Br

InChI

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