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

Systemtic Name: methyl 6-methyl-2-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[4-(phenylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[4-(phenylsulfamoyl)phenyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H25N3O4S3 MolecularWeight: 515.668

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4S3/c1-15-8-13-19-20(14-15)33-22(21(19)23(28)31-2)26-24(32)25-16-9-11-18(12-10-16)34(29,30)27-17-6-4-3-5-7-17/h3-7,9-12,15,27H,8,13-14H2,1-2H3,(H2,25,26,32)