N-(3,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(3,4-dimethylphenyl)-2-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C25H23N3O2S/c1-17-12-14-20(16-18(17)2)26-24(30)21-10-6-7-11-22(21)27-25(31)28-23(29)15-13-19-8-4-3-5-9-19/h3-16H,1-2H3,(H,26,30)(H2,27,28,29,31)/b15-13+