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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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