N-[2-methoxy-4-(2-phenylethanoylcarbamothioylamino)phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-methoxy-4-(2-phenylethanoylcarbamothioylamino)phenyl]thiophene-2-carboxamide Openeye Name: N-[2-methoxy-4-[(2-phenylacetyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[2-methoxy-4-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-methoxy-4-[(2-phenylacetyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-methoxy-4-[(2-phenylacetyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S2/c1-27-17-13-15(9-10-16(17)23-20(26)18-8-5-11-29-18)22-21(28)24-19(25)12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,23,26)(H2,22,24,25,28)