methyl 3-chloranyl-6-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(p-tolylsulfonylamino)phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[(4-methylphenyl)sulfonylamino]anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(tosylamino)phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C24H20ClN3O4S3 MolecularWeight: 546.0813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C24H20ClN3O4S3/c1-14-3-10-18(11-4-14)35(30,31)28-16-7-5-15(6-8-16)26-24(33)27-17-9-12-19-20(13-17)34-22(21(19)25)23(29)32-2/h3-13,28H,1-2H3,(H2,26,27,33)