[4-[1-azanyl-3-[(4-nitrophenyl)methylsulfanyl]propyl]-3-butyl-piperazin-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [4-[1-azanyl-3-[(4-nitrophenyl)methylsulfanyl]propyl]-3-butyl-piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[1-amino-3-[(4-nitrophenyl)methylsulfanyl]propyl]-3-butyl-piperazin-1-yl]-(1-naphthyl)methanone CAS Name: [4-[1-amino-3-[(4-nitrophenyl)methylthio]propyl]-3-butyl-1-piperazinyl]-(1-naphthalenyl)methanone IUPAC Name: [4-[1-amino-3-[(4-nitrophenyl)methylsulfanyl]propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-[1-amino-3-[(4-nitrobenzyl)thio]propyl]-3-butyl-piperazino]-(1-naphthyl)methanone Formula: C29H36N4O3S MolecularWeight: 520.68614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1C(CCSCC2=CC=C(C=C2)[N+](=O)[O-])N)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCC1CN(CCN1C(CCSCC2=CC=C(C=C2)[N+](=O)[O-])N)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H36N4O3S/c1-2-3-9-25-20-31(29(34)27-11-6-8-23-7-4-5-10-26(23)27)17-18-32(25)28(30)16-19-37-21-22-12-14-24(15-13-22)33(35)36/h4-8,10-15,25,28H,2-3,9,16-21,30H2,1H3