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

Systemtic Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-4-phenyl-benzamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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

InChI

InChI=1S/C25H25N3O3S/c1-16-9-14-22(15-17(16)2)31-18(3)23(29)27-28-25(32)26-24(30)21-12-10-20(11-13-21)19-7-5-4-6-8-19/h4-15,18H,1-3H3,(H,27,29)(H2,26,28,30,32)