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

Systemtic Name: N-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[2-(4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[[2-(4-ethylphenoxy)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=C(C=C2)CC

Isomeric SMILES

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

InChI

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