butan-2-yl 2-[3-oxidanylidene-1-(2-phenylethanoylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name: butan-2-yl 2-[3-oxidanylidene-1-(2-phenylethanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[3-oxo-1-[(2-phenylacetyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[3-oxo-1-[(2-phenylacetyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(2-phenylacetyl)thiocarbamoyl]piperazin-2-yl]acetic acid sec-butyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H25N3O4S/c1-3-13(2)26-17(24)12-15-18(25)20-9-10-22(15)19(27)21-16(23)11-14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H,20,25)(H,21,23,27)