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

Systemtic Name: butyl 2-[1-[2-(4-chlorophenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C19H24ClN3O4S MolecularWeight: 425.92956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H24ClN3O4S/c1-2-3-10-27-17(25)12-15-18(26)21-8-9-23(15)19(28)22-16(24)11-13-4-6-14(20)7-5-13/h4-7,15H,2-3,8-12H2,1H3,(H,21,26)(H,22,24,28)