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

Systemtic Name: 4-ethoxy-N,2-diethyl-1-oxidanylidene-5-phenethyloxy-2H-1,3-benzothiazol-3-amine hydrochloride Openeye Name: 4-ethoxy-N,2-diethyl-1-oxo-5-phenethyloxy-2H-1,3-benzothiazol-3-amine hydrochloride CAS Name: 4-ethoxy-N,2-diethyl-1-oxo-5-phenethyloxy-2H-1,3-benzothiazol-3-amine hydrochloride IUPAC Name: 4-ethoxy-N,2-diethyl-1-oxo-5-phenethyloxy-2H-1,3-benzothiazol-3-amine hydrochloride Traditional Name: (4-ethoxy-2-ethyl-1-keto-5-phenethyloxy-2H-1,3-benzothiazol-3-yl)-ethyl-amine hydrochloride Formula: C21H29ClN2O3S MolecularWeight: 424.98456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1N(C2=C(S1=O)C=CC(=C2OCC)OCCC3=CC=CC=C3)NCC.Cl

Isomeric SMILES

CCC1N(C2=C(S1=O)C=CC(=C2OCC)OCCC3=CC=CC=C3)NCC.Cl

InChI

InChI=1S/C21H28N2O3S.ClH/c1-4-19-23(22-5-2)20-18(27(19)24)13-12-17(21(20)25-6-3)26-15-14-16-10-8-7-9-11-16;/h7-13,19,22H,4-6,14-15H2,1-3H3;1H