methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[4-(p-tolylsulfonylamino)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-[(4-methylphenyl)sulfonylamino]anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(tosylamino)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C27H25N3O4S3 MolecularWeight: 551.7001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H25N3O4S3/c1-18-8-14-23(15-9-18)37(32,33)30-21-12-10-20(11-13-21)28-27(35)29-25-24(26(31)34-2)17-22(36-25)16-19-6-4-3-5-7-19/h3-15,17,30H,16H2,1-2H3,(H2,28,29,35)