N-(4-methylphenyl)-2-[2-(oxolan-2-ylmethylimino)-1,3-benzothiazol-3-yl]ethanamide hydrochloride

Systemtic Name: N-(4-methylphenyl)-2-[2-(oxolan-2-ylmethylimino)-1,3-benzothiazol-3-yl]ethanamide hydrochloride Openeye Name: N-(p-tolyl)-2-[2-(tetrahydrofuran-2-ylmethylimino)-1,3-benzothiazol-3-yl]acetamide hydrochloride CAS Name: N-(4-methylphenyl)-2-[2-(2-oxolanylmethylimino)-1,3-benzothiazol-3-yl]acetamide hydrochloride IUPAC Name: N-(4-methylphenyl)-2-[2-(oxolan-2-ylmethylimino)-1,3-benzothiazol-3-yl]acetamide hydrochloride Traditional Name: N-(p-tolyl)-2-[2-(tetrahydrofurfurylimino)-1,3-benzothiazol-3-yl]acetamide hydrochloride Formula: C21H24ClN3O2S MolecularWeight: 417.95216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3SC2=NCC4CCCO4.Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3SC2=NCC4CCCO4.Cl

InChI

InChI=1S/C21H23N3O2S.ClH/c1-15-8-10-16(11-9-15)23-20(25)14-24-18-6-2-3-7-19(18)27-21(24)22-13-17-5-4-12-26-17;/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,23,25);1H