(E)-3-(3,4-dimethoxyphenyl)-N-(hexadecylcarbamothioyl)prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-(hexadecylcarbamothioyl)prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-(hexadecylcarbamothioyl)prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(hexadecylamino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-(hexadecylcarbamothioyl)prop-2-enamide Traditional Name: (E)-N-(cetylthiocarbamoyl)-3-(3,4-dimethoxyphenyl)acrylamide Formula: C28H46N2O3S MolecularWeight: 490.74144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C=CC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H46N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-28(34)30-27(31)21-19-24-18-20-25(32-2)26(23-24)33-3/h18-21,23H,4-17,22H2,1-3H3,(H2,29,30,31,34)/b21-19+