2-adamantyl N-[3-(1H-indol-3-yl)-1-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]-1-sulfanylidene-propan-2-yl]carbamate

Systemtic Name: 2-adamantyl N-[3-(1H-indol-3-yl)-1-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]-1-sulfanylidene-propan-2-yl]carbamate Openeye Name: 2-adamantyl N-[2-[(1-benzyl-2-hydroxy-ethyl)amino]-1-(1H-indol-3-ylmethyl)-2-thioxo-ethyl]carbamate CAS Name: N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-sulfanylidenepropan-2-yl]carbamic acid 2-adamantyl ester IUPAC Name: 2-adamantyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-sulfanylidenepropan-2-yl]carbamate Traditional Name: N-[2-[(1-benzyl-2-hydroxy-ethyl)amino]-1-(1H-indol-3-ylmethyl)-2-thioxo-ethyl]carbamic acid 2-adamantyl ester Formula: C31H37N3O3S MolecularWeight: 531.70878

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3OC(=O)NC(CC4=CNC5=CC=CC=C54)C(=S)NC(CC6=CC=CC=C6)CO

Isomeric SMILES

C1C2CC3CC1CC(C2)C3OC(=O)NC(CC4=CNC5=CC=CC=C54)C(=S)NC(CC6=CC=CC=C6)CO

InChI

InChI=1S/C31H37N3O3S/c35-18-25(15-19-6-2-1-3-7-19)33-30(38)28(16-24-17-32-27-9-5-4-8-26(24)27)34-31(36)37-29-22-11-20-10-21(13-22)14-23(29)12-20/h1-9,17,20-23,25,28-29,32,35H,10-16,18H2,(H,33,38)(H,34,36)