N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3-ethoxy-benzamide

Systemtic Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-3-ethoxy-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H25N3O4S/c1-5-27-17-8-6-7-16(12-17)20(26)22-21(29)24-23-19(25)15(4)28-18-10-9-13(2)14(3)11-18/h6-12,15H,5H2,1-4H3,(H,23,25)(H2,22,24,26,29)