3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-nitro-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-nitro-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-nitro-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-5-nitro-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-nitro-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(4-methoxyphenyl)piperazino]methyl]-5-nitro-1,3-benzoxazole-2-thione Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=S

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=S

InChI

InChI=1S/C19H20N4O4S/c1-26-16-5-2-14(3-6-16)21-10-8-20(9-11-21)13-22-17-12-15(23(24)25)4-7-18(17)27-19(22)28/h2-7,12H,8-11,13H2,1H3