N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[2-(2,6-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[[2-(2,6-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=C(C=CC=C2C)C

Isomeric SMILES

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

InChI

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