ethyl 2-[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylamino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]-oxomethyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C25H23N5O5S2 MolecularWeight: 537.61062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC#N)CCC#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC#N)CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C25H23N5O5S2/c1-2-35-24(32)22-21(18-8-4-3-5-9-18)28-25(36-22)29-23(31)19-10-12-20(13-11-19)37(33,34)30(16-6-14-26)17-7-15-27/h3-5,8-13H,2,6-7,16-17H2,1H3,(H,28,29,31)