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

Systemtic Name: methyl 2-[(3,5-dimethoxyphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(3,5-dimethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(3,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(3,5-dimethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3,5-dimethoxyphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)OC

InChI

InChI=1S/C22H22N2O4S2/c1-26-16-10-15(11-17(12-16)27-2)23-22(29)24-20-19(21(25)28-3)13-18(30-20)9-14-7-5-4-6-8-14/h4-8,10-13H,9H2,1-3H3,(H2,23,24,29)