N7-cyclopentyl-4-nitro-N5-(phenylmethyl)-N7-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: N7-cyclopentyl-4-nitro-N5-(phenylmethyl)-N7-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N5-benzyl-N7-cyclopentyl-4-nitro-N7-(2-thienylmethyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-cyclopentyl-4-nitro-N5-(phenylmethyl)-N7-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N-benzyl-7-N-cyclopentyl-4-nitro-7-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: [6-(benzylamino)-7-nitro-benzofurazan-4-yl]-cyclopentyl-(2-thenyl)amine Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC=CS2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N(CC2=CC=CS2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCC5=CC=CC=C5

InChI

InChI=1S/C23H23N5O3S/c29-28(30)23-19(24-14-16-7-2-1-3-8-16)13-20(21-22(23)26-31-25-21)27(17-9-4-5-10-17)15-18-11-6-12-32-18/h1-3,6-8,11-13,17,24H,4-5,9-10,14-15H2