[3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)-4-[3-(thiomorpholin-4-ylamino)propyl]piperazin-1-yl]methanone dihydrochloride

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)-4-[3-(thiomorpholin-4-ylamino)propyl]piperazin-1-yl]methanone dihydrochloride Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)-4-[3-(thiomorpholinoamino)propyl]piperazin-1-yl]methanone dihydrochloride CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)-4-[3-(thiomorpholin-4-ylamino)propyl]-1-piperazinyl]methanone dihydrochloride IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)-4-[3-(thiomorpholin-4-ylamino)propyl]piperazin-1-yl]methanone dihydrochloride Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)-4-[3-(thiomorpholinoamino)propyl]piperazino]methanone dihydrochloride Formula: C29H35Cl2F6N5OS MolecularWeight: 686.582519

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CCCNN2CCSCC2)CC3=CNC4=CC=CC=C43)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F.Cl.Cl

Isomeric SMILES

C1CN(C(CN1CCCNN2CCSCC2)CC3=CNC4=CC=CC=C43)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F.Cl.Cl

InChI

InChI=1S/C29H33F6N5OS.2ClH/c30-28(31,32)22-14-20(15-23(17-22)29(33,34)35)27(41)40-9-8-38(7-3-6-37-39-10-12-42-13-11-39)19-24(40)16-21-18-36-26-5-2-1-4-25(21)26;;/h1-2,4-5,14-15,17-18,24,36-37H,3,6-13,16,19H2;2*1H