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

Systemtic Name: methyl 5-(phenylmethyl)-2-[(3,4,5-trimethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(3,4,5-trimethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[sulfanylidene-(3,4,5-trimethoxyanilino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(3,4,5-trimethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3,4,5-trimethoxyphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H24N2O5S2 MolecularWeight: 472.57706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H24N2O5S2/c1-27-18-11-15(12-19(28-2)20(18)29-3)24-23(31)25-21-17(22(26)30-4)13-16(32-21)10-14-8-6-5-7-9-14/h5-9,11-13H,10H2,1-4H3,(H2,24,25,31)