methyl 3-(hexadecylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(hexadecylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 3-(hexadecylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[[[(hexadecylamino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(hexadecylcarbamothioylcarbamoyl)benzoate Traditional Name: 3-(cetylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C26H42N2O3S MolecularWeight: 462.68828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC(=CC=C1)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC(=CC=C1)C(=O)OC

InChI

InChI=1S/C26H42N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-26(32)28-24(29)22-18-17-19-23(21-22)25(30)31-2/h17-19,21H,3-16,20H2,1-2H3,(H2,27,28,29,32)