phenethyl 2-[1-(2-naphthalen-1-ylethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[1-(2-naphthalen-1-ylethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-[[2-(1-naphthyl)acetyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-[(2-naphthalen-1-ylacetyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[2-(1-naphthyl)acetyl]thiocarbamoyl]piperazin-2-yl]acetic acid phenethyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H27N3O4S/c31-24(17-21-11-6-10-20-9-4-5-12-22(20)21)29-27(35)30-15-14-28-26(33)23(30)18-25(32)34-16-13-19-7-2-1-3-8-19/h1-12,23H,13-18H2,(H,28,33)(H,29,31,35)