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

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: 2-chloro-N-cyclohexyl-5-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]benzamide Formula: C25H28ClN3O3S MolecularWeight: 486.02612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

InChI

InChI=1S/C25H28ClN3O3S/c1-2-32-20-12-8-17(9-13-20)10-15-23(30)29-25(33)28-19-11-14-22(26)21(16-19)24(31)27-18-6-4-3-5-7-18/h8-16,18H,2-7H2,1H3,(H,27,31)(H2,28,29,30,33)/b15-10+