ethyl (E)-4-(hexadecylcarbamothioylamino)-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-(hexadecylcarbamothioylamino)-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-(hexadecylcarbamothioylamino)-4-oxo-but-2-enoate CAS Name: (E)-4-[[(hexadecylamino)-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-(hexadecylcarbamothioylamino)-4-oxobut-2-enoate Traditional Name: (E)-4-(cetylthiocarbamoylamino)-4-keto-but-2-enoic acid ethyl ester Formula: C23H42N2O3S MolecularWeight: 426.65618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C=CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C23H42N2O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-23(29)25-21(26)18-19-22(27)28-4-2/h18-19H,3-17,20H2,1-2H3,(H2,24,25,26,29)/b19-18+