N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-3-propoxy-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C21H25N3O4S/c1-4-8-27-17-7-5-6-16(12-17)20(26)22-21(29)24-23-19(25)13-28-18-10-14(2)9-15(3)11-18/h5-7,9-12H,4,8,13H2,1-3H3,(H,23,25)(H2,22,24,26,29)