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

Systemtic Name: N-cyclohexyl-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-cyclohexyl-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-cyclohexyl-2-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-cyclohexyl-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-cyclohexyl-2-[[(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=CC=C2C(=O)NC3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3CCCCC3

InChI

InChI=1S/C25H29N3O3S/c1-2-31-20-15-12-18(13-16-20)14-17-23(29)28-25(32)27-22-11-7-6-10-21(22)24(30)26-19-8-4-3-5-9-19/h6-7,10-17,19H,2-5,8-9H2,1H3,(H,26,30)(H2,27,28,29,32)/b17-14+