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

Systemtic Name: butan-2-yl 2-[3-oxidanylidene-1-[(4-phenethyloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: sec-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 butan-2-yl ester IUPAC Name: butan-2-yl 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 sec-butyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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