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

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[(4-tosylpiperazino)methyl]-1,3-benzoxazole-2-thione Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S2/c1-15-6-8-16(9-7-15)27(23,24)21-12-10-20(11-13-21)14-22-17-4-2-3-5-18(17)25-19(22)26/h2-9H,10-14H2,1H3