N-(1-adamantylcarbamothioyl)-5-bromanyl-2-methoxy-3-methyl-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-5-bromanyl-2-methoxy-3-methyl-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-(1-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)NC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)OC

InChI

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