3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(m-tolyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(3-methylphenyl)-1-piperazinyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(m-tolyl)piperazino]methyl]-1,3-benzoxazole-2-thione Formula: C19H21N3OS MolecularWeight: 339.45454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CN3C4=CC=CC=C4OC3=S

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C19H21N3OS/c1-15-5-4-6-16(13-15)21-11-9-20(10-12-21)14-22-17-7-2-3-8-18(17)23-19(22)24/h2-8,13H,9-12,14H2,1H3