[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-[4-[anilino(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-keto-2-[4-(phenylcarbamoyl)piperazino]ethyl] ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S/c29-23(27-12-14-28(15-13-27)25(31)26-21-8-2-1-3-9-21)17-32-24(30)18-33-22-11-10-19-6-4-5-7-20(19)16-22/h1-11,16H,12-15,17-18H2,(H,26,31)