dibutyl 2-[octyl(sulfanyl)carbamothioyl]butanedioate

Systemtic Name: dibutyl 2-[octyl(sulfanyl)carbamothioyl]butanedioate Openeye Name: dibutyl 2-[octyl(sulfanyl)carbamothioyl]butanedioate CAS Name: 2-[[mercapto(octyl)amino]-sulfanylidenemethyl]butanedioic acid dibutyl ester IUPAC Name: dibutyl 2-[octyl(sulfanyl)carbamothioyl]butanedioate Traditional Name: 2-[mercapto(octyl)thiocarbamoyl]succinic acid dibutyl ester Formula: C21H39NO4S2 MolecularWeight: 433.66866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C(=S)C(CC(=O)OCCCC)C(=O)OCCCC)S

Isomeric SMILES

CCCCCCCCN(C(=S)C(CC(=O)OCCCC)C(=O)OCCCC)S

InChI

InChI=1S/C21H39NO4S2/c1-4-7-10-11-12-13-14-22(28)20(27)18(21(24)26-16-9-6-3)17-19(23)25-15-8-5-2/h18,28H,4-17H2,1-3H3