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

Systemtic Name: phenethyl 2-[3-oxidanylidene-1-[(4-phenylphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[3-oxo-1-[(4-phenylbenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[3-oxo-1-[(4-phenylbenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(4-phenylbenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid phenethyl ester Formula: C28H27N3O4S MolecularWeight: 501.59668

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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)C4=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)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4S/c32-25(35-18-15-20-7-3-1-4-8-20)19-24-27(34)29-16-17-31(24)28(36)30-26(33)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-14,24H,15-19H2,(H,29,34)(H,30,33,36)