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

Systemtic Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-nitro-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-nitro-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]-5-nitro-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-nitro-1,3-benzoxazole-2-thione Traditional Name: 5-nitro-3-[(4-o-phenetylpiperazino)methyl]-1,3-benzoxazole-2-thione Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=S

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=S

InChI

InChI=1S/C20H22N4O4S/c1-2-27-18-6-4-3-5-16(18)22-11-9-21(10-12-22)14-23-17-13-15(24(25)26)7-8-19(17)28-20(23)29/h3-8,13H,2,9-12,14H2,1H3