2-methylpropyl 2-[3-oxidanylidene-1-[(2-phenethyloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: 2-methylpropyl 2-[3-oxidanylidene-1-[(2-phenethyloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: isobutyl 2-[3-oxo-1-[(2-phenethyloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(2-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[3-oxo-1-[(2-phenethyloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(2-phenethyloxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid isobutyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O5S/c1-18(2)17-34-23(30)16-21-25(32)27-13-14-29(21)26(35)28-24(31)20-10-6-7-11-22(20)33-15-12-19-8-4-3-5-9-19/h3-11,18,21H,12-17H2,1-2H3,(H,27,32)(H,28,31,35)