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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)OCC

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)OCC

InChI

InChI=1S/C27H27N3O3S/c1-3-30(23-11-6-5-7-12-23)26(32)21-9-8-10-22(19-21)28-27(34)29-25(31)18-15-20-13-16-24(17-14-20)33-4-2/h5-19H,3-4H2,1-2H3,(H2,28,29,31,34)/b18-15+