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

Systemtic Name: 2-methyl-N-[4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]propanamide Openeye Name: 2-methyl-N-[4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]propanamide CAS Name: 2-methyl-N-[4-[oxo-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]propanamide IUPAC Name: 2-methyl-N-[4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]propanamide Traditional Name: 2-methyl-N-[4-[[[(E)-3-phenylacryloyl]thiocarbamoylamino]carbamoyl]phenyl]propionamide Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H22N4O3S/c1-14(2)19(27)22-17-11-9-16(10-12-17)20(28)24-25-21(29)23-18(26)13-8-15-6-4-3-5-7-15/h3-14H,1-2H3,(H,22,27)(H,24,28)(H2,23,25,26,29)/b13-8+