N-butyl-5-(4-methylpiperazin-1-yl)-4-nitro-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-butyl-5-(4-methylpiperazin-1-yl)-4-nitro-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: N-butyl-5-(4-methylpiperazin-1-yl)-4-nitro-N-(2-thienylmethyl)-2,1,3-benzoxadiazol-7-amine CAS Name: N-butyl-5-(4-methyl-1-piperazinyl)-4-nitro-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-butyl-5-(4-methylpiperazin-1-yl)-4-nitro-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazol-7-amine Traditional Name: butyl-[6-(4-methylpiperazino)-7-nitro-benzofurazan-4-yl]-(2-thenyl)amine Formula: C20H26N6O3S MolecularWeight: 430.52384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CS1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCN(CC4)C

Isomeric SMILES

CCCCN(CC1=CC=CS1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCN(CC4)C

InChI

InChI=1S/C20H26N6O3S/c1-3-4-7-25(14-15-6-5-12-30-15)16-13-17(24-10-8-23(2)9-11-24)20(26(27)28)19-18(16)21-29-22-19/h5-6,12-13H,3-4,7-11,14H2,1-2H3