4-chloranyl-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)aniline hydrate dihydrochloride

Systemtic Name: 4-chloranyl-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)aniline hydrate dihydrochloride Openeye Name: 4-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)aniline hydrate dihydrochloride CAS Name: 4-chloro-2-[(4-chlorophenyl)thio]-N-[3-(1-pyrrolidinyl)propyl]aniline hydrate dihydrochloride IUPAC Name: 4-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)aniline hydrate dihydrochloride Traditional Name: [4-chloro-2-[(4-chlorophenyl)thio]phenyl]-(3-pyrrolidinopropyl)amine hydrate dihydrochloride Formula: C38H48Cl6N4OS2 MolecularWeight: 853.66192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=C(C=C(C=C2)Cl)SC3=CC=C(C=C3)Cl.C1CCN(C1)CCCNC2=C(C=C(C=C2)Cl)SC3=CC=C(C=C3)Cl.O.Cl.Cl

Isomeric SMILES

C1CCN(C1)CCCNC2=C(C=C(C=C2)Cl)SC3=CC=C(C=C3)Cl.C1CCN(C1)CCCNC2=C(C=C(C=C2)Cl)SC3=CC=C(C=C3)Cl.O.Cl.Cl

InChI

InChI=1S/2C19H22Cl2N2S.2ClH.H2O/c2*20-15-4-7-17(8-5-15)24-19-14-16(21)6-9-18(19)22-10-3-13-23-11-1-2-12-23;;;/h2*4-9,14,22H,1-3,10-13H2;2*1H;1H2