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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O5S/c1-2-3-15-34-23(30)18-22-25(32)27-13-14-29(22)26(35)28-24(31)20-10-7-11-21(17-20)33-16-12-19-8-5-4-6-9-19/h4-11,17,22H,2-3,12-16,18H2,1H3,(H,27,32)(H,28,31,35)