3-oxidanylidene-N-phenyl-2-[(prop-2-enylcarbamothioylamino)methylidene]butanamide

Systemtic Name: 3-oxidanylidene-N-phenyl-2-[(prop-2-enylcarbamothioylamino)methylidene]butanamide Openeye Name: 2-[(allylcarbamothioylamino)methylene]-3-oxo-N-phenyl-butanamide CAS Name: 3-oxo-N-phenyl-2-[[[(prop-2-enylamino)-sulfanylidenemethyl]amino]methylidene]butanamide IUPAC Name: 3-oxo-N-phenyl-2-[(prop-2-enylcarbamothioylamino)methylidene]butanamide Traditional Name: 2-acetyl-3-(allylthiocarbamoylamino)-N-phenyl-acrylamide Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CNC(=S)NCC=C)C(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(=O)C(=CNC(=S)NCC=C)C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C15H17N3O2S/c1-3-9-16-15(21)17-10-13(11(2)19)14(20)18-12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3,(H,18,20)(H2,16,17,21)