6-[3-(1-naphthalen-1-ylethylamino)propyl]-3H-1,3-benzothiazol-2-one hydrochloride

Systemtic Name: 6-[3-(1-naphthalen-1-ylethylamino)propyl]-3H-1,3-benzothiazol-2-one hydrochloride Openeye Name: 6-[3-[1-(1-naphthyl)ethylamino]propyl]-3H-1,3-benzothiazol-2-one hydrochloride CAS Name: 6-[3-[1-(1-naphthalenyl)ethylamino]propyl]-3H-1,3-benzothiazol-2-one hydrochloride IUPAC Name: 6-[3-(1-naphthalen-1-ylethylamino)propyl]-3H-1,3-benzothiazol-2-one hydrochloride Traditional Name: 6-[3-[1-(1-naphthyl)ethylamino]propyl]-3H-1,3-benzothiazol-2-one hydrochloride Formula: C22H23ClN2OS MolecularWeight: 398.94882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NCCCC3=CC4=C(C=C3)NC(=O)S4.Cl

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NCCCC3=CC4=C(C=C3)NC(=O)S4.Cl

InChI

InChI=1S/C22H22N2OS.ClH/c1-15(18-10-4-8-17-7-2-3-9-19(17)18)23-13-5-6-16-11-12-20-21(14-16)26-22(25)24-20;/h2-4,7-12,14-15,23H,5-6,13H2,1H3,(H,24,25);1H