N,2-diethyl-1-oxidanylidene-5-phenethyloxy-4-propylsulfanyl-2H-1,3-benzothiazol-3-amine hydrochloride

Systemtic Name: N,2-diethyl-1-oxidanylidene-5-phenethyloxy-4-propylsulfanyl-2H-1,3-benzothiazol-3-amine hydrochloride Openeye Name: N,2-diethyl-1-oxo-5-phenethyloxy-4-propylsulfanyl-2H-1,3-benzothiazol-3-amine hydrochloride CAS Name: N,2-diethyl-1-oxo-5-phenethyloxy-4-(propylthio)-2H-1,3-benzothiazol-3-amine hydrochloride IUPAC Name: N,2-diethyl-1-oxo-5-phenethyloxy-4-propylsulfanyl-2H-1,3-benzothiazol-3-amine hydrochloride Traditional Name: ethyl-[2-ethyl-1-keto-5-phenethyloxy-4-(propylthio)-2H-1,3-benzothiazol-3-yl]amine hydrochloride Formula: C22H31ClN2O2S2 MolecularWeight: 455.07674

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC2=C1N(C(S2=O)CC)NCC)OCCC3=CC=CC=C3.Cl

Isomeric SMILES

CCCSC1=C(C=CC2=C1N(C(S2=O)CC)NCC)OCCC3=CC=CC=C3.Cl

InChI

InChI=1S/C22H30N2O2S2.ClH/c1-4-16-27-22-18(26-15-14-17-10-8-7-9-11-17)12-13-19-21(22)24(23-6-3)20(5-2)28(19)25;/h7-13,20,23H,4-6,14-16H2,1-3H3;1H