propyl 2-[1-(2,2-diphenylethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: propyl 2-[1-(2,2-diphenylethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: propyl 2-[1-[(2,2-diphenylacetyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[1-[(2,2-diphenylacetyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(2,2-diphenylacetyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid propyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4S/c1-2-15-31-20(28)16-19-22(29)25-13-14-27(19)24(32)26-23(30)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,21H,2,13-16H2,1H3,(H,25,29)(H,26,30,32)