ethyl 2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[5-(dimethylsulfamoyl)-2-methylanilino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H27N3O4S3 MolecularWeight: 481.65178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C21H27N3O4S3/c1-5-28-20(25)18-15-8-6-7-9-17(15)30-19(18)23-21(29)22-16-12-14(11-10-13(16)2)31(26,27)24(3)4/h10-12H,5-9H2,1-4H3,(H2,22,23,29)