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

Systemtic Name: dodecyl 2-[1-[2-(4-chlorophenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 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 dodecyl ester IUPAC Name: dodecyl 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 lauryl ester Formula: C27H40ClN3O4S MolecularWeight: 538.1422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40ClN3O4S/c1-2-3-4-5-6-7-8-9-10-11-18-35-25(33)20-23-26(34)29-16-17-31(23)27(36)30-24(32)19-21-12-14-22(28)15-13-21/h12-15,23H,2-11,16-20H2,1H3,(H,29,34)(H,30,32,36)