2-chloranyl-N-cyclohexyl-5-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: 2-chloro-N-cyclohexyl-5-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C25H28ClN3O4S MolecularWeight: 502.02552

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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)Cl)C(=O)NC3CCCCC3)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN3O4S/c1-32-21-12-8-16(14-22(21)33-2)9-13-23(30)29-25(34)28-18-10-11-20(26)19(15-18)24(31)27-17-6-4-3-5-7-17/h8-15,17H,3-7H2,1-2H3,(H,27,31)(H2,28,29,30,34)/b13-9+