S-[3-(diethylamino)propyl] 4-azanyl-2-phenethyloxy-benzenecarbothioate dihydrochloride

Systemtic Name: S-[3-(diethylamino)propyl] 4-azanyl-2-phenethyloxy-benzenecarbothioate dihydrochloride Openeye Name: S-[3-(diethylamino)propyl] 4-amino-2-phenethyloxy-benzenecarbothioate dihydrochloride CAS Name: 4-amino-2-phenethyloxybenzenecarbothioic acid S-[3-(diethylamino)propyl] ester dihydrochloride IUPAC Name: S-[3-(diethylamino)propyl] 4-amino-2-phenethyloxybenzenecarbothioate dihydrochloride Traditional Name: 4-amino-2-phenethyloxy-thiobenzoic acid S-[3-(diethylamino)propyl] ester dihydrochloride Formula: C22H32Cl2N2O2S MolecularWeight: 459.47268

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCSC(=O)C1=C(C=C(C=C1)N)OCCC2=CC=CC=C2.Cl.Cl

Isomeric SMILES

CCN(CC)CCCSC(=O)C1=C(C=C(C=C1)N)OCCC2=CC=CC=C2.Cl.Cl

InChI

InChI=1S/C22H30N2O2S.2ClH/c1-3-24(4-2)14-8-16-27-22(25)20-12-11-19(23)17-21(20)26-15-13-18-9-6-5-7-10-18;;/h5-7,9-12,17H,3-4,8,13-16,23H2,1-2H3;2*1H