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

Systemtic Name: N-cyclohexyl-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-methyl-benzamide Openeye Name: N-cyclohexyl-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-methyl-benzamide CAS Name: N-cyclohexyl-2-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-methylbenzamide IUPAC Name: N-cyclohexyl-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-methylbenzamide Traditional Name: N-cyclohexyl-N-methyl-2-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]benzamide Formula: C26H31N3O3S MolecularWeight: 465.60764

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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)N(C)C3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)C3CCCCC3

InChI

InChI=1S/C26H31N3O3S/c1-3-32-21-16-13-19(14-17-21)15-18-24(30)28-26(33)27-23-12-8-7-11-22(23)25(31)29(2)20-9-5-4-6-10-20/h7-8,11-18,20H,3-6,9-10H2,1-2H3,(H2,27,28,30,33)/b18-15+