(E)-N-(hexadecylcarbamothioyl)-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(hexadecylcarbamothioyl)-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(hexadecylcarbamothioyl)-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(hexadecylamino)-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(hexadecylcarbamothioyl)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(cetylthiocarbamoyl)-3-(4-nitrophenyl)acrylamide Formula: C26H41N3O3S MolecularWeight: 475.68704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C26H41N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-26(33)28-25(30)21-18-23-16-19-24(20-17-23)29(31)32/h16-21H,2-15,22H2,1H3,(H2,27,28,30,33)/b21-18+