methyl 3-chloranyl-6-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(3,4-dimethoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(veratrylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C20H19ClN2O4S2 MolecularWeight: 450.95886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)OC

InChI

InChI=1S/C20H19ClN2O4S2/c1-25-14-7-4-11(8-15(14)26-2)10-22-20(28)23-12-5-6-13-16(9-12)29-18(17(13)21)19(24)27-3/h4-9H,10H2,1-3H3,(H2,22,23,28)