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

Systemtic Name: 3-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(4-sec-butylphenyl)sulfonylpiperazino]methyl]-1,3-benzoxazole-2-thione Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S2/c1-3-17(2)18-8-10-19(11-9-18)30(26,27)24-14-12-23(13-15-24)16-25-20-6-4-5-7-21(20)28-22(25)29/h4-11,17H,3,12-16H2,1-2H3