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

Systemtic Name: (2E)-N-(4-chlorophenyl)-3-oxidanylidene-2-[(prop-2-enylcarbamothioylamino)methylidene]butanamide Openeye Name: (2E)-2-[(allylcarbamothioylamino)methylene]-N-(4-chlorophenyl)-3-oxo-butanamide CAS Name: (2E)-N-(4-chlorophenyl)-3-oxo-2-[[[(prop-2-enylamino)-sulfanylidenemethyl]amino]methylidene]butanamide IUPAC Name: (2E)-N-(4-chlorophenyl)-3-oxo-2-[(prop-2-enylcarbamothioylamino)methylidene]butanamide Traditional Name: (E)-2-acetyl-3-(allylthiocarbamoylamino)-N-(4-chlorophenyl)acrylamide Formula: C15H16ClN3O2S MolecularWeight: 337.82444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O2S/c1-3-8-17-15(22)18-9-13(10(2)20)14(21)19-12-6-4-11(16)5-7-12/h3-7,9H,1,8H2,2H3,(H,19,21)(H2,17,18,22)/b13-9+