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

Systemtic Name: methyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(4-methoxyphenyl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(4-methoxyphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(p-anisylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S2/c1-26-17-10-8-16(9-11-17)14-23-22(28)24-20-19(21(25)27-2)13-18(29-20)12-15-6-4-3-5-7-15/h3-11,13H,12,14H2,1-2H3,(H2,23,24,28)