methyl 2-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(4-methoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H21N3O5S3 MolecularWeight: 491.60354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C21H21N3O5S3/c1-13-12-18(20(25)29-3)19(31-13)23-21(30)22-14-6-10-17(11-7-14)32(26,27)24-15-4-8-16(28-2)9-5-15/h4-12,24H,1-3H3,(H2,22,23,30)