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

Systemtic Name: N-[2-methoxy-4-(2-phenoxyethanoylcarbamothioylamino)phenyl]thiophene-2-carboxamide Openeye Name: N-[2-methoxy-4-[(2-phenoxyacetyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[2-methoxy-4-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-methoxy-4-[(2-phenoxyacetyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-methoxy-4-[(2-phenoxyacetyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)COC2=CC=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)COC2=CC=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H19N3O4S2/c1-27-17-12-14(9-10-16(17)23-20(26)18-8-5-11-30-18)22-21(29)24-19(25)13-28-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,23,26)(H2,22,24,25,29)