2-[4-[(2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-sulfanyl-piperidin-3-ylidene]ethyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid dihydrochloride

Systemtic Name: 2-[4-[(2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-sulfanyl-piperidin-3-ylidene]ethyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid dihydrochloride Openeye Name: 2-[4-[(2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-sulfanyl-3-piperidylidene]ethyl]-2-oxo-piperazin-1-yl]acetic acid dihydrochloride CAS Name: 2-[4-[(2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-mercapto-3-piperidinylidene]ethyl]-2-oxo-1-piperazinyl]acetic acid dihydrochloride IUPAC Name: 2-[4-[(2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]ethyl]-2-oxopiperazin-1-yl]acetic acid dihydrochloride Traditional Name: 2-[4-[(2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-4-mercapto-3-piperidylidene]ethyl]-2-keto-piperazino]acetic acid dihydrochloride Formula: C24H32Cl2FN3O4S MolecularWeight: 548.497983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(C(=CCN4CCN(C(=O)C4)CC(=O)O)C3)S.Cl.Cl

Isomeric SMILES

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C/CN4CCN(C(=O)C4)CC(=O)O)/C3)S.Cl.Cl

InChI

InChI=1S/C24H30FN3O4S.2ClH/c25-19-4-2-1-3-18(19)23(24(32)16-5-6-16)28-10-8-20(33)17(13-28)7-9-26-11-12-27(15-22(30)31)21(29)14-26;;/h1-4,7,16,20,23,33H,5-6,8-15H2,(H,30,31);2*1H/b17-7+;;