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

Systemtic Name: phenethyl 2-[3-oxidanylidene-1-[(4-phenethyloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C30H31N3O5S MolecularWeight: 545.64924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4

InChI

InChI=1S/C30H31N3O5S/c34-27(38-20-16-23-9-5-2-6-10-23)21-26-29(36)31-17-18-33(26)30(39)32-28(35)24-11-13-25(14-12-24)37-19-15-22-7-3-1-4-8-22/h1-14,26H,15-21H2,(H,31,36)(H,32,35,39)