ethyl 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-indolin-1-ylsulfonylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H25N3O4S3 MolecularWeight: 563.7108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C28H25N3O4S3/c1-2-35-27(32)23-18-25(20-9-4-3-5-10-20)37-26(23)30-28(36)29-21-12-14-22(15-13-21)38(33,34)31-17-16-19-8-6-7-11-24(19)31/h3-15,18H,2,16-17H2,1H3,(H2,29,30,36)