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

Systemtic Name: N-butyl-5-(4-methylpiperidin-1-yl)-4-nitro-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: N-butyl-5-(4-methyl-1-piperidyl)-4-nitro-N-(2-thienylmethyl)-2,1,3-benzoxadiazol-7-amine CAS Name: N-butyl-5-(4-methyl-1-piperidinyl)-4-nitro-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-butyl-5-(4-methylpiperidin-1-yl)-4-nitro-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazol-7-amine Traditional Name: butyl-[6-(4-methylpiperidino)-7-nitro-benzofurazan-4-yl]-(2-thenyl)amine Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CS1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCC(CC4)C

Isomeric SMILES

CCCCN(CC1=CC=CS1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCC(CC4)C

InChI

InChI=1S/C21H27N5O3S/c1-3-4-9-25(14-16-6-5-12-30-16)17-13-18(24-10-7-15(2)8-11-24)21(26(27)28)20-19(17)22-29-23-20/h5-6,12-13,15H,3-4,7-11,14H2,1-2H3