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

Systemtic Name: propyl 2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: propyl 2-[(2R)-3-oxo-1-[(4-phenylbenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-1-[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[(2R)-3-oxo-1-[(4-phenylbenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-[(4-phenylbenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid propyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S/c1-2-14-30-20(27)15-19-22(29)24-12-13-26(19)23(31)25-21(28)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19H,2,12-15H2,1H3,(H,24,29)(H,25,28,31)/t19-/m1/s1