2-[3-[4-[(Z)-C-ethyl-N-methoxy-carbonimidoyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)ethanamide

Systemtic Name: 2-[3-[4-[(Z)-C-ethyl-N-methoxy-carbonimidoyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)ethanamide Openeye Name: 2-[3-[4-[(Z)-C-ethyl-N-methoxy-carbonimidoyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide CAS Name: 2-[3-[3-(4-fluorophenyl)-4-[(1Z)-1-methoxyiminopropyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl-(2-mercaptoethyl)amino]-N-(2-mercaptoethyl)acetamide IUPAC Name: 2-[3-[4-[(Z)-C-ethyl-N-methoxycarbonimidoyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide Traditional Name: 2-[3-[4-[(Z)-C-ethyl-N-methoxy-carbonimidoyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl-(2-mercaptoethyl)amino]-N-(2-mercaptoethyl)acetamide Formula: C26H41FN4O2S2 MolecularWeight: 524.757743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=NOC)C1C2CCC(N2CCCN(CCS)CC(=O)NCCS)CC1C3=CC=C(C=C3)F

Isomeric SMILES

CC/C(=N/OC)/C1C2CCC(N2CCCN(CCS)CC(=O)NCCS)CC1C3=CC=C(C=C3)F

InChI

InChI=1S/C26H41FN4O2S2/c1-3-23(29-33-2)26-22(19-5-7-20(27)8-6-19)17-21-9-10-24(26)31(21)13-4-12-30(14-16-35)18-25(32)28-11-15-34/h5-8,21-22,24,26,34-35H,3-4,9-18H2,1-2H3,(H,28,32)/b29-23-