2-nitro-N-(phenylmethyl)-5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline

Systemtic Name: 2-nitro-N-(phenylmethyl)-5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline Openeye Name: N-benzyl-2-nitro-5-[4-(4-phenylthiazol-2-yl)piperazin-1-yl]aniline CAS Name: 2-nitro-N-(phenylmethyl)-5-[4-(4-phenyl-2-thiazolyl)-1-piperazinyl]aniline IUPAC Name: N-benzyl-2-nitro-5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline Traditional Name: benzyl-[2-nitro-5-[4-(4-phenylthiazol-2-yl)piperazino]phenyl]amine Formula: C26H25N5O2S MolecularWeight: 471.574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N5O2S/c32-31(33)25-12-11-22(17-23(25)27-18-20-7-3-1-4-8-20)29-13-15-30(16-14-29)26-28-24(19-34-26)21-9-5-2-6-10-21/h1-12,17,19,27H,13-16,18H2