N-[2-methoxy-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-methoxy-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-methoxy-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[2-methoxy-4-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-methoxy-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-methoxy-4-[[(E)-3-phenylacryloyl]thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C22H19N3O3S2 MolecularWeight: 437.53456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H19N3O3S2/c1-28-18-14-16(10-11-17(18)24-21(27)19-8-5-13-30-19)23-22(29)25-20(26)12-9-15-6-3-2-4-7-15/h2-14H,1H3,(H,24,27)(H2,23,25,26,29)/b12-9+