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

Systemtic Name: 5-[4-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperazin-1-yl]-2-nitro-N-phenethyl-aniline Openeye Name: 5-[4-[4-(1-naphthyl)thiazol-2-yl]piperazin-1-yl]-2-nitro-N-phenethyl-aniline CAS Name: 5-[4-[4-(1-naphthalenyl)-2-thiazolyl]-1-piperazinyl]-2-nitro-N-phenethylaniline IUPAC Name: 5-[4-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperazin-1-yl]-2-nitro-N-phenethylaniline Traditional Name: [5-[4-[4-(1-naphthyl)thiazol-2-yl]piperazino]-2-nitro-phenyl]-phenethyl-amine Formula: C31H29N5O2S MolecularWeight: 535.65926

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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=CC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)C4=NC(=CS4)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C31H29N5O2S/c37-36(38)30-14-13-25(21-28(30)32-16-15-23-7-2-1-3-8-23)34-17-19-35(20-18-34)31-33-29(22-39-31)27-12-6-10-24-9-4-5-11-26(24)27/h1-14,21-22,32H,15-20H2