3-methyl-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]butanamide Traditional Name: 3-methyl-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]butyramide Formula: C14H18N4O5S MolecularWeight: 354.38152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O5S/c1-9(2)7-12(19)15-14(24)17-16-13(20)8-23-11-5-3-10(4-6-11)18(21)22/h3-6,9H,7-8H2,1-2H3,(H,16,20)(H2,15,17,19,24)