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

Systemtic Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-phenethyl-benzamide Openeye Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-phenethyl-benzamide CAS Name: 2-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-phenethylbenzamide Traditional Name: N-phenethyl-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)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C27H27N3O3S/c1-2-33-22-15-12-21(13-16-22)14-17-25(31)30-27(34)29-24-11-7-6-10-23(24)26(32)28-19-18-20-8-4-3-5-9-20/h3-17H,2,18-19H2,1H3,(H,28,32)(H2,29,30,31,34)/b17-14+