S-(2-adamantyl) N-[3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamothioate

Systemtic Name: S-(2-adamantyl) N-[3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamothioate Openeye Name: S-(2-adamantyl) N-[1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-(phenethylamino)ethyl]carbamothioate CAS Name: N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(phenethylamino)propan-2-yl]carbamothioic acid S-(2-adamantyl) ester IUPAC Name: S-(2-adamantyl) N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(phenethylamino)propan-2-yl]carbamothioate Traditional Name: N-[1-(1H-indol-3-ylmethyl)-2-keto-1-methyl-2-(phenethylamino)ethyl]thiocarbamic acid S-(2-adamantyl) ester Formula: C31H37N3O2S MolecularWeight: 515.70938

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCCC3=CC=CC=C3)NC(=O)SC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCCC3=CC=CC=C3)NC(=O)SC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C31H37N3O2S/c1-31(18-25-19-33-27-10-6-5-9-26(25)27,29(35)32-12-11-20-7-3-2-4-8-20)34-30(36)37-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,33H,11-18H2,1H3,(H,32,35)(H,34,36)