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

Systemtic Name: 3-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-N,N-dimethyl-propanamide Openeye Name: 3-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-N,N-dimethyl-propanamide CAS Name: 3-[4-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-N,N-dimethylpropanamide IUPAC Name: 3-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-N,N-dimethylpropanamide Traditional Name: 3-[4-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]phenyl]-N,N-dimethyl-propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

CN(C)C(=O)CCC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H25N3O3S/c1-25(2)21(27)15-9-16-4-10-18(11-5-16)23-22(29)24-20(26)14-8-17-6-12-19(28-3)13-7-17/h4-8,10-14H,9,15H2,1-3H3,(H2,23,24,26,29)/b14-8+