N-(2-methylphenyl)-2-[(octadecylcarbamothioylamino)methylidene]-3-oxidanylidene-butanamide

Systemtic Name: N-(2-methylphenyl)-2-[(octadecylcarbamothioylamino)methylidene]-3-oxidanylidene-butanamide Openeye Name: 2-[(octadecylcarbamothioylamino)methylene]-N-(o-tolyl)-3-oxo-butanamide CAS Name: N-(2-methylphenyl)-2-[[[(octadecylamino)-sulfanylidenemethyl]amino]methylidene]-3-oxobutanamide IUPAC Name: N-(2-methylphenyl)-2-[(octadecylcarbamothioylamino)methylidene]-3-oxobutanamide Traditional Name: 2-acetyl-N-(o-tolyl)-3-(stearylthiocarbamoylamino)acrylamide Formula: C31H51N3O2S MolecularWeight: 529.82054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=S)NC=C(C(=O)C)C(=O)NC1=CC=CC=C1C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=S)NC=C(C(=O)C)C(=O)NC1=CC=CC=C1C

InChI

InChI=1S/C31H51N3O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32-31(37)33-25-28(27(3)35)30(36)34-29-23-20-19-22-26(29)2/h19-20,22-23,25H,4-18,21,24H2,1-3H3,(H,34,36)(H2,32,33,37)