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

Systemtic Name: 2-nitro-N-phenethyl-5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline Openeye Name: 2-nitro-N-phenethyl-5-[4-(4-phenylthiazol-2-yl)piperazin-1-yl]aniline CAS Name: 2-nitro-N-phenethyl-5-[4-(4-phenyl-2-thiazolyl)-1-piperazinyl]aniline IUPAC Name: 2-nitro-N-phenethyl-5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline Traditional Name: [2-nitro-5-[4-(4-phenylthiazol-2-yl)piperazino]phenyl]-phenethyl-amine Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)C4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)C4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2S/c33-32(34)26-12-11-23(19-24(26)28-14-13-21-7-3-1-4-8-21)30-15-17-31(18-16-30)27-29-25(20-35-27)22-9-5-2-6-10-22/h1-12,19-20,28H,13-18H2