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

Systemtic Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Openeye Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide CAS Name: N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-2-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Traditional Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-2-(2-phenoxyethoxy)benzamide Formula: C27H29N3O5S MolecularWeight: 507.60126

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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=CC=C2OCCOC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3)C

InChI

InChI=1S/C27H29N3O5S/c1-18-13-14-22(17-19(18)2)35-20(3)25(31)29-30-27(36)28-26(32)23-11-7-8-12-24(23)34-16-15-33-21-9-5-4-6-10-21/h4-14,17,20H,15-16H2,1-3H3,(H,29,31)(H2,28,30,32,36)