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

Systemtic Name: methyl 2-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-[(4-methoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C27H25N3O5S3 MolecularWeight: 567.6995

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H25N3O5S3/c1-34-21-12-8-20(9-13-21)30-38(32,33)23-14-10-19(11-15-23)28-27(36)29-25-24(26(31)35-2)17-22(37-25)16-18-6-4-3-5-7-18/h3-15,17,30H,16H2,1-2H3,(H2,28,29,36)