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

Systemtic Name: 5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-nitro-N-phenethyl-aniline Openeye Name: 2-nitro-N-phenethyl-5-[4-[4-(p-tolyl)thiazol-2-yl]piperazin-1-yl]aniline CAS Name: 5-[4-[4-(4-methylphenyl)-2-thiazolyl]-1-piperazinyl]-2-nitro-N-phenethylaniline IUPAC Name: 5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-nitro-N-phenethylaniline Traditional Name: [2-nitro-5-[4-[4-(p-tolyl)thiazol-2-yl]piperazino]phenyl]-phenethyl-amine Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])NCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])NCCC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2S/c1-21-7-9-23(10-8-21)26-20-36-28(30-26)32-17-15-31(16-18-32)24-11-12-27(33(34)35)25(19-24)29-14-13-22-5-3-2-4-6-22/h2-12,19-20,29H,13-18H2,1H3