(2E)-2-[[(2-tert-butylphenyl)carbamothioylamino]methylidene]-3-oxidanylidene-butanamide

Systemtic Name: (2E)-2-[[(2-tert-butylphenyl)carbamothioylamino]methylidene]-3-oxidanylidene-butanamide Openeye Name: (2E)-2-[[(2-tert-butylphenyl)carbamothioylamino]methylene]-3-oxo-butanamide CAS Name: (2E)-2-[[[(2-tert-butylanilino)-sulfanylidenemethyl]amino]methylidene]-3-oxobutanamide IUPAC Name: (2E)-2-[[(2-tert-butylphenyl)carbamothioylamino]methylidene]-3-oxobutanamide Traditional Name: (E)-2-acetyl-3-[(2-tert-butylphenyl)thiocarbamoylamino]acrylamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CNC(=S)NC1=CC=CC=C1C(C)(C)C)C(=O)N

Isomeric SMILES

CC(=O)/C(=C\NC(=S)NC1=CC=CC=C1C(C)(C)C)/C(=O)N

InChI

InChI=1S/C16H21N3O2S/c1-10(20)11(14(17)21)9-18-15(22)19-13-8-6-5-7-12(13)16(2,3)4/h5-9H,1-4H3,(H2,17,21)(H2,18,19,22)/b11-9+