(2E)-N-(4-chlorophenyl)-3-oxidanylidene-2-[(phenylcarbamothioylamino)methylidene]butanamide

Systemtic Name: (2E)-N-(4-chlorophenyl)-3-oxidanylidene-2-[(phenylcarbamothioylamino)methylidene]butanamide Openeye Name: (2E)-N-(4-chlorophenyl)-3-oxo-2-[(phenylcarbamothioylamino)methylene]butanamide CAS Name: (2E)-2-[[[anilino(sulfanylidene)methyl]amino]methylidene]-N-(4-chlorophenyl)-3-oxobutanamide IUPAC Name: (2E)-N-(4-chlorophenyl)-3-oxo-2-[(phenylcarbamothioylamino)methylidene]butanamide Traditional Name: (E)-2-acetyl-N-(4-chlorophenyl)-3-(phenylthiocarbamoylamino)acrylamide Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CNC(=S)NC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)/C(=C\NC(=S)NC1=CC=CC=C1)/C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H16ClN3O2S/c1-12(23)16(17(24)21-15-9-7-13(19)8-10-15)11-20-18(25)22-14-5-3-2-4-6-14/h2-11H,1H3,(H,21,24)(H2,20,22,25)/b16-11+