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

Systemtic Name: [4-[1-azanyl-3-(phenylmethylsulfanyl)propyl]-3-butyl-piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-(1-amino-3-benzylsulfanyl-propyl)-3-butyl-piperazin-1-yl]-(1-naphthyl)methanone CAS Name: [4-[1-amino-3-(phenylmethylthio)propyl]-3-butyl-1-piperazinyl]-(1-naphthalenyl)methanone IUPAC Name: [4-(1-amino-3-benzylsulfanylpropyl)-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-[1-amino-3-(benzylthio)propyl]-3-butyl-piperazino]-(1-naphthyl)methanone Formula: C29H37N3OS MolecularWeight: 475.68858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1C(CCSCC2=CC=CC=C2)N)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCC1CN(CCN1C(CCSCC2=CC=CC=C2)N)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H37N3OS/c1-2-3-14-25-21-31(29(33)27-16-9-13-24-12-7-8-15-26(24)27)18-19-32(25)28(30)17-20-34-22-23-10-5-4-6-11-23/h4-13,15-16,25,28H,2-3,14,17-22,30H2,1H3