N-(2-adamantylcarbamothioyl)-5-bromanyl-2-methoxy-3-methyl-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-5-bromanyl-2-methoxy-3-methyl-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-5-bromo-2-methoxy-3-methyl-benzamide Formula: C20H25BrN2O2S MolecularWeight: 437.3937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)OC

InChI

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