2-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-5-nitro-1,3-benzoxazole

Systemtic Name: 2-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-5-nitro-1,3-benzoxazole Openeye Name: 2-[5-[(4-methylpiperazin-1-yl)methyl]-2-thienyl]-5-nitro-1,3-benzoxazole CAS Name: 2-[5-[(4-methyl-1-piperazinyl)methyl]-2-thiophenyl]-5-nitro-1,3-benzoxazole IUPAC Name: 2-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-5-nitro-1,3-benzoxazole Traditional Name: 2-[5-[(4-methylpiperazino)methyl]-2-thienyl]-5-nitro-1,3-benzoxazole Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(S2)C3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(S2)C3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3S/c1-19-6-8-20(9-7-19)11-13-3-5-16(25-13)17-18-14-10-12(21(22)23)2-4-15(14)24-17/h2-5,10H,6-9,11H2,1H3