hexadecyl N-[1,3-benzodioxol-5-yloxycarbonyl(methyl)amino]sulfanyl-N-methyl-carbamate

Systemtic Name: hexadecyl N-[1,3-benzodioxol-5-yloxycarbonyl(methyl)amino]sulfanyl-N-methyl-carbamate Openeye Name: hexadecyl N-[1,3-benzodioxol-5-yloxycarbonyl(methyl)amino]sulfanyl-N-methyl-carbamate CAS Name: N-[[[1,3-benzodioxol-5-yloxy(oxo)methyl]-methylamino]thio]-N-methylcarbamic acid hexadecyl ester IUPAC Name: hexadecyl N-[1,3-benzodioxol-5-yloxycarbonyl(methyl)amino]sulfanyl-N-methylcarbamate Traditional Name: N-[[1,3-benzodioxol-5-yloxycarbonyl(methyl)amino]thio]-N-methyl-carbamic acid cetyl ester Formula: C27H44N2O6S MolecularWeight: 524.71306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)N(C)SN(C)C(=O)OC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)N(C)SN(C)C(=O)OC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C27H44N2O6S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-32-26(30)28(2)36-29(3)27(31)35-23-18-19-24-25(21-23)34-22-33-24/h18-19,21H,4-17,20,22H2,1-3H3