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

Systemtic Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-4-heptoxy-benzamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C26H35N3O4S/c1-5-6-7-8-9-16-32-22-14-11-21(12-15-22)25(31)27-26(34)29-28-24(30)20(4)33-23-13-10-18(2)19(3)17-23/h10-15,17,20H,5-9,16H2,1-4H3,(H,28,30)(H2,27,29,31,34)