(2Z)-2-[(carbamothioylamino)methylidene]-3-oxidanylidene-N-phenyl-butanamide

Systemtic Name: (2Z)-2-[(carbamothioylamino)methylidene]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: (2Z)-2-[(carbamothioylamino)methylene]-3-oxo-N-phenyl-butanamide CAS Name: (2Z)-2-[(carbamothioylamino)methylidene]-3-oxo-N-phenylbutanamide IUPAC Name: (2Z)-2-[(carbamothioylamino)methylidene]-3-oxo-N-phenylbutanamide Traditional Name: (Z)-2-acetyl-N-phenyl-3-thioureido-acrylamide Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)/C(=C/NC(=S)N)/C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C12H13N3O2S/c1-8(16)10(7-14-12(13)18)11(17)15-9-5-3-2-4-6-9/h2-7H,1H3,(H,15,17)(H3,13,14,18)/b10-7-