2-adamantyl N-[3-(1H-indol-3-yl)-2-methyl-1-(phenethylamino)-1-sulfanylidene-propan-2-yl]carbamate

Systemtic Name: 2-adamantyl N-[3-(1H-indol-3-yl)-2-methyl-1-(phenethylamino)-1-sulfanylidene-propan-2-yl]carbamate Openeye Name: 2-adamantyl N-[1-(1H-indol-3-ylmethyl)-1-methyl-2-(phenethylamino)-2-thioxo-ethyl]carbamate CAS Name: N-[3-(1H-indol-3-yl)-2-methyl-1-(phenethylamino)-1-sulfanylidenepropan-2-yl]carbamic acid 2-adamantyl ester IUPAC Name: 2-adamantyl N-[3-(1H-indol-3-yl)-2-methyl-1-(phenethylamino)-1-sulfanylidenepropan-2-yl]carbamate Traditional Name: N-[1-(1H-indol-3-ylmethyl)-1-methyl-2-(phenethylamino)-2-thioxo-ethyl]carbamic acid 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(=S)NCCC3=CC=CC=C3)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)(C(=S)NCCC3=CC=CC=C3)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

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