N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)ethanoylcarbamothioylamino]benzamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)ethanoylcarbamothioylamino]benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]benzamide Traditional Name: N-(3,4-dimethylphenyl)-2-[[2-(4-methoxyphenyl)acetyl]thiocarbamoylamino]benzamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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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)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

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

InChI

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