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

Systemtic Name: N-(1-adamantylcarbamothioyl)-3-bromanyl-2-methoxy-5-methyl-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methyl-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3-bromo-2-methoxy-5-methylbenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3-bromo-2-methoxy-5-methylbenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-3-bromo-2-methoxy-5-methyl-benzamide Formula: C20H25BrN2O2S MolecularWeight: 437.3937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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