methyl 3-chloranyl-6-[(2,4-dimethylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2,4-dimethylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2,4-dimethylphenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2,4-dimethylanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2,4-dimethylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2,4-dimethylphenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H17ClN2O2S2 MolecularWeight: 404.93348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

InChI

InChI=1S/C19H17ClN2O2S2/c1-10-4-7-14(11(2)8-10)22-19(25)21-12-5-6-13-15(9-12)26-17(16(13)20)18(23)24-3/h4-9H,1-3H3,(H2,21,22,25)