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

Systemtic Name: dodecyl 2-[1-[3-(2-chlorophenyl)propanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 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 dodecyl ester IUPAC Name: dodecyl 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 lauryl ester Formula: C28H42ClN3O4S MolecularWeight: 552.16878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42ClN3O4S/c1-2-3-4-5-6-7-8-9-10-13-20-36-26(34)21-24-27(35)30-18-19-32(24)28(37)31-25(33)17-16-22-14-11-12-15-23(22)29/h11-12,14-15,24H,2-10,13,16-21H2,1H3,(H,30,35)(H,31,33,37)