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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(3,4-dimethylphenyl)-2-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]benzamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C26H25N3O2S/c1-17-8-11-20(12-9-17)13-15-24(30)29-26(32)28-23-7-5-4-6-22(23)25(31)27-21-14-10-18(2)19(3)16-21/h4-16H,1-3H3,(H,27,31)(H2,28,29,30,32)/b15-13+