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

Systemtic Name: N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]-2-methyl-propanamide Openeye Name: N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]-2-methyl-propanamide CAS Name: N-[4-[[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]-2-methylpropanamide Traditional Name: 2-methyl-N-[4-[[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]carbamoyl]phenyl]propionamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-4-31-19-12-5-16(6-13-19)7-14-20(28)25-23(32)27-26-22(30)17-8-10-18(11-9-17)24-21(29)15(2)3/h5-15H,4H2,1-3H3,(H,24,29)(H,26,30)(H2,25,27,28,32)/b14-7+