methyl (Z)-2-cyano-3-(hexadecylcarbamothioylamino)prop-2-enoate

Systemtic Name: methyl (Z)-2-cyano-3-(hexadecylcarbamothioylamino)prop-2-enoate Openeye Name: methyl (Z)-2-cyano-3-(hexadecylcarbamothioylamino)prop-2-enoate CAS Name: (Z)-2-cyano-3-[[(hexadecylamino)-sulfanylidenemethyl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-cyano-3-(hexadecylcarbamothioylamino)prop-2-enoate Traditional Name: (Z)-3-(cetylthiocarbamoylamino)-2-cyano-acrylic acid methyl ester Formula: C22H39N3O2S MolecularWeight: 409.62896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC=C(C#N)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)N/C=C(/C#N)\C(=O)OC

InChI

InChI=1S/C22H39N3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-22(28)25-19-20(18-23)21(26)27-2/h19H,3-17H2,1-2H3,(H2,24,25,28)/b20-19-