N-[4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide

Systemtic Name: N-[4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: N-[4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: N-[4-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: N-[4-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C25H23N3O4S/c1-31-21-14-8-17(16-22(21)32-2)9-15-23(29)28-25(33)27-20-12-10-19(11-13-20)26-24(30)18-6-4-3-5-7-18/h3-16H,1-2H3,(H,26,30)(H2,27,28,29,33)/b15-9+