methyl 3-[(4-methoxyphenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-methoxyphenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(4-methoxyphenyl)methylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-methoxyphenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-(p-anisylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NC2=C(SC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NC2=C(SC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C19H18N2O3S2/c1-23-13-9-7-12(8-10-13)11-20-19(25)21-16-14-5-3-4-6-15(14)26-17(16)18(22)24-2/h3-10H,11H2,1-2H3,(H2,20,21,25)