diicosyl 2-[methyl(sulfanyl)carbamothioyl]butanedioate

Systemtic Name: diicosyl 2-[methyl(sulfanyl)carbamothioyl]butanedioate Openeye Name: diicosyl 2-[methyl(sulfanyl)carbamothioyl]butanedioate CAS Name: 2-[[mercapto(methyl)amino]-sulfanylidenemethyl]butanedioic acid dieicosyl ester IUPAC Name: diicosyl 2-[methyl(sulfanyl)carbamothioyl]butanedioate Traditional Name: 2-[mercapto(methyl)thiocarbamoyl]succinic acid diarachyl ester Formula: C46H89NO4S2 MolecularWeight: 784.33316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(=O)CC(C(=S)N(C)S)C(=O)OCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)CC(C(=S)N(C)S)C(=O)OCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C46H89NO4S2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-50-44(48)42-43(45(52)47(3)53)46(49)51-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h43,53H,4-42H2,1-3H3