N-[3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2,2-dimethyl-propanamide Openeye Name: N-[3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2,2-dimethyl-propanamide CAS Name: N-[3-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2,2-dimethylpropanamide IUPAC Name: N-[3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2,2-dimethylpropanamide Traditional Name: 2,2-dimethyl-N-[3-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]phenyl]propionamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

InChI

InChI=1S/C23H27N3O3S/c1-5-29-19-12-9-16(10-13-19)11-14-20(27)26-22(30)25-18-8-6-7-17(15-18)24-21(28)23(2,3)4/h6-15H,5H2,1-4H3,(H,24,28)(H2,25,26,27,30)/b14-11+