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

Systemtic Name: (phenylmethyl) 2-[1-(2-naphthalen-1-ylethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=S)NC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=S)NC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H25N3O4S/c30-23(15-20-11-6-10-19-9-4-5-12-21(19)20)28-26(34)29-14-13-27-25(32)22(29)16-24(31)33-17-18-7-2-1-3-8-18/h1-12,22H,13-17H2,(H,27,32)(H,28,30,34)