3-phenylpropyl 2-[1-[2-(4-chlorophenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-[2-(4-chlorophenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-[[2-(4-chlorophenyl)acetyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-[[2-(4-chlorophenyl)acetyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[[2-(4-chlorophenyl)acetyl]thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C24H26ClN3O4S MolecularWeight: 487.99894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H26ClN3O4S/c25-19-10-8-18(9-11-19)15-21(29)27-24(33)28-13-12-26-23(31)20(28)16-22(30)32-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,26,31)(H,27,29,33)