ethyl 5-phenyl-3-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylcarbamothioylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-phenyl-3-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylcarbamothioylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-phenyl-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 5-phenyl-3-[(4-pyrrolidinosulfonylbenzoyl)thiocarbamoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C25H25N3O5S3 MolecularWeight: 543.6781

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H25N3O5S3/c1-2-33-24(30)22-20(16-21(35-22)17-8-4-3-5-9-17)26-25(34)27-23(29)18-10-12-19(13-11-18)36(31,32)28-14-6-7-15-28/h3-5,8-13,16H,2,6-7,14-15H2,1H3,(H2,26,27,29,34)