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

Systemtic Name: methyl 3-chloranyl-6-[(2,4,6-trimethylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2,4,6-trimethylphenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[sulfanylidene-(2,4,6-trimethylanilino)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2,4,6-trimethylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(mesitylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C20H19ClN2O2S2 MolecularWeight: 418.96006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O2S2/c1-10-7-11(2)17(12(3)8-10)23-20(26)22-13-5-6-14-15(9-13)27-18(16(14)21)19(24)25-4/h5-9H,1-4H3,(H2,22,23,26)