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

Systemtic Name: butyl 2-[1-[3-(2-chlorophenyl)propanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[1-[3-(2-chlorophenyl)propanoylcarbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-[3-(2-chlorophenyl)propanoylcarbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[3-(2-chlorophenyl)propanoylthiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C20H26ClN3O4S MolecularWeight: 439.95614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

CCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C20H26ClN3O4S/c1-2-3-12-28-18(26)13-16-19(27)22-10-11-24(16)20(29)23-17(25)9-8-14-6-4-5-7-15(14)21/h4-7,16H,2-3,8-13H2,1H3,(H,22,27)(H,23,25,29)