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

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-1,3-benzoxazole-2-thione Formula: C18H26N4O3S2 MolecularWeight: 410.55404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CN3C4=CC=CC=C4OC3=S

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C18H26N4O3S2/c23-27(24,20-9-5-1-2-6-10-20)21-13-11-19(12-14-21)15-22-16-7-3-4-8-17(16)25-18(22)26/h3-4,7-8H,1-2,5-6,9-15H2