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

Systemtic Name: N-[4-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-2-methoxy-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-2-methoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-2-methoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]-2-methoxy-phenyl]thiophene-2-carboxamide Formula: C21H18ClN3O3S2 MolecularWeight: 459.96892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3S2/c1-28-17-12-15(8-9-16(17)24-20(27)18-3-2-10-30-18)23-21(29)25-19(26)11-13-4-6-14(22)7-5-13/h2-10,12H,11H2,1H3,(H,24,27)(H2,23,25,26,29)