methyl 5-phenyl-2-[(3,4,5-trimethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-[(3,4,5-trimethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[(3,4,5-trimethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[sulfanylidene-(3,4,5-trimethoxyanilino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[(3,4,5-trimethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[(3,4,5-trimethoxyphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O5S2/c1-26-16-10-14(11-17(27-2)19(16)28-3)23-22(30)24-20-15(21(25)29-4)12-18(31-20)13-8-6-5-7-9-13/h5-12H,1-4H3,(H2,23,24,30)