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

Systemtic Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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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)OCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3)C

InChI

InChI=1S/C27H29N3O4S/c1-18-9-12-24(17-19(18)2)34-20(3)25(31)29-30-27(35)28-26(32)22-10-13-23(14-11-22)33-16-15-21-7-5-4-6-8-21/h4-14,17,20H,15-16H2,1-3H3,(H,29,31)(H2,28,30,32,35)