2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide

Systemtic Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide Openeye Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide CAS Name: 2-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide Traditional Name: N-(1-phenylethyl)-2-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]benzamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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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)NC(C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C27H27N3O3S/c1-3-33-22-16-13-20(14-17-22)15-18-25(31)30-27(34)29-24-12-8-7-11-23(24)26(32)28-19(2)21-9-5-4-6-10-21/h4-19H,3H2,1-2H3,(H,28,32)(H2,29,30,31,34)/b18-15+