butyl 2-[3-oxidanylidene-1-[(4-phenethyloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[3-oxidanylidene-1-[(4-phenethyloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: butyl 2-[3-oxo-1-[(4-phenethyloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(4-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[3-oxo-1-[(4-phenethyloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(4-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=C(C=C2)OCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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