(3E)-3-(carbamothioylhydrazinylidene)-N-(4-methoxy-2-nitro-phenyl)butanamide

Systemtic Name: (3E)-3-(carbamothioylhydrazinylidene)-N-(4-methoxy-2-nitro-phenyl)butanamide Openeye Name: (3E)-3-(carbamothioylhydrazono)-N-(4-methoxy-2-nitro-phenyl)butanamide CAS Name: (3E)-3-(carbamothioylhydrazinylidene)-N-(4-methoxy-2-nitrophenyl)butanamide IUPAC Name: (3E)-3-(carbamothioylhydrazinylidene)-N-(4-methoxy-2-nitrophenyl)butanamide Traditional Name: (3E)-N-(4-methoxy-2-nitro-phenyl)-3-(thiocarbamoylhydrazono)butyramide Formula: C12H15N5O4S MolecularWeight: 325.3436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N)CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=S)N)/CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O4S/c1-7(15-16-12(13)22)5-11(18)14-9-4-3-8(21-2)6-10(9)17(19)20/h3-4,6H,5H2,1-2H3,(H,14,18)(H3,13,16,22)/b15-7+