methyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(3,4-dimethoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(veratrylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C23H24N2O4S2 MolecularWeight: 456.57766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O4S2/c1-27-19-10-9-16(12-20(19)28-2)14-24-23(30)25-21-18(22(26)29-3)13-17(31-21)11-15-7-5-4-6-8-15/h4-10,12-13H,11,14H2,1-3H3,(H2,24,25,30)