N-[[2-(2,3-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[2-(2,3-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[[2-(2,3-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-4-propoxy-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC(=C2C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC(=C2C)C

InChI

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