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

Systemtic Name: N-cyclohexyl-4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-cyclohexyl-4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-cyclohexyl-4-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-cyclohexyl-4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-cyclohexyl-4-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]benzamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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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)C(=O)NC3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S/c1-2-31-22-15-8-18(9-16-22)10-17-23(29)28-25(32)27-21-13-11-19(12-14-21)24(30)26-20-6-4-3-5-7-20/h8-17,20H,2-7H2,1H3,(H,26,30)(H2,27,28,29,32)/b17-10+