methyl 5-ethyl-2-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-benzyloxyphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(4-phenylmethoxyanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(4-benzoxyphenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O3S2/c1-3-18-13-19(21(25)26-2)20(29-18)24-22(28)23-16-9-11-17(12-10-16)27-14-15-7-5-4-6-8-15/h4-13H,3,14H2,1-2H3,(H2,23,24,28)