dodecyl 2-[1-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-[(3-isopentyloxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[[3-(3-methylbutoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-isoamoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C31H49N3O5S MolecularWeight: 575.80286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H49N3O5S/c1-4-5-6-7-8-9-10-11-12-13-20-39-28(35)23-27-30(37)32-18-19-34(27)31(40)33-29(36)25-15-14-16-26(22-25)38-21-17-24(2)3/h14-16,22,24,27H,4-13,17-21,23H2,1-3H3,(H,32,37)(H,33,36,40)