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

Systemtic Name: N-cyclohexyl-4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-cyclohexyl-4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-cyclohexyl-4-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-cyclohexyl-4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-cyclohexyl-4-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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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)C(=O)NC3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC3CCCCC3)OC

InChI

InChI=1S/C25H29N3O4S/c1-31-21-14-8-17(16-22(21)32-2)9-15-23(29)28-25(33)27-20-12-10-18(11-13-20)24(30)26-19-6-4-3-5-7-19/h8-16,19H,3-7H2,1-2H3,(H,26,30)(H2,27,28,29,33)/b15-9+