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

Systemtic Name: N-[2-methoxy-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-propanamide Openeye Name: N-[2-methoxy-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-propanamide CAS Name: N-[2-methoxy-4-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylpropanamide IUPAC Name: N-[2-methoxy-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]-2-methylpropanamide Traditional Name: N-[2-methoxy-4-[[(E)-3-phenylacryloyl]thiocarbamoylamino]phenyl]-2-methyl-propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-14(2)20(26)23-17-11-10-16(13-18(17)27-3)22-21(28)24-19(25)12-9-15-7-5-4-6-8-15/h4-14H,1-3H3,(H,23,26)(H2,22,24,25,28)/b12-9+