N-[1-(1-adamantylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-bromanyl-benzamide

Systemtic Name: N-[1-(1-adamantylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-bromanyl-benzamide Openeye Name: N-[1-(1-adamantylmethylcarbamoyl)-3-methylsulfanyl-propyl]-2-bromo-benzamide CAS Name: N-[1-(1-adamantylmethylamino)-4-(methylthio)-1-oxobutan-2-yl]-2-bromobenzamide IUPAC Name: N-[1-(1-adamantylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-bromobenzamide Traditional Name: N-[1-(1-adamantylmethylcarbamoyl)-3-(methylthio)propyl]-2-bromo-benzamide Formula: C23H31BrN2O2S MolecularWeight: 479.47344

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CSCCC(C(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C23H31BrN2O2S/c1-29-7-6-20(26-21(27)18-4-2-3-5-19(18)24)22(28)25-14-23-11-15-8-16(12-23)10-17(9-15)13-23/h2-5,15-17,20H,6-14H2,1H3,(H,25,28)(H,26,27)