2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazol-6-amine hydrochloride

Systemtic Name: 2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazol-6-amine hydrochloride Openeye Name: 2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazol-6-amine hydrochloride CAS Name: 2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazol-6-amine hydrochloride IUPAC Name: 2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazol-6-amine hydrochloride Traditional Name: [2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazol-6-yl]amine hydrochloride Formula: C18H22ClN2O3PS MolecularWeight: 412.870641

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)N)OCC.Cl

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)N)OCC.Cl

InChI

InChI=1S/C18H21N2O3PS.ClH/c1-3-22-24(21,23-4-2)12-13-5-7-14(8-6-13)18-20-16-10-9-15(19)11-17(16)25-18;/h5-11H,3-4,12,19H2,1-2H3;1H