dodecyl 2-[3-oxidanylidene-1-[(4-phenethyloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[3-oxidanylidene-1-[(4-phenethyloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[3-oxo-1-[(4-phenethyloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(4-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[3-oxo-1-[(4-phenethyloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(4-phenethyloxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid lauryl ester Formula: C34H47N3O5S MolecularWeight: 609.81908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C34H47N3O5S/c1-2-3-4-5-6-7-8-9-10-14-24-42-31(38)26-30-33(40)35-22-23-37(30)34(43)36-32(39)28-17-19-29(20-18-28)41-25-21-27-15-12-11-13-16-27/h11-13,15-20,30H,2-10,14,21-26H2,1H3,(H,35,40)(H,36,39,43)