N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C

InChI

InChI=1S/C22H27N3O6S/c1-12-7-8-16(9-13(12)2)31-14(3)20(26)24-25-22(32)23-21(27)15-10-17(28-4)19(30-6)18(11-15)29-5/h7-11,14H,1-6H3,(H,24,26)(H2,23,25,27,32)