2-[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylamino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

Systemtic Name: 2-[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylamino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide Openeye Name: 6-benzyl-2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide CAS Name: 2-[[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]-oxomethyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide IUPAC Name: 6-benzyl-2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide Traditional Name: 6-benzyl-2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide Formula: C28H28N6O4S2 MolecularWeight: 576.68972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)C(=O)N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)C(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C28H28N6O4S2/c29-13-4-15-34(16-5-14-30)40(37,38)22-10-8-21(9-11-22)27(36)32-28-25(26(31)35)23-12-17-33(19-24(23)39-28)18-20-6-2-1-3-7-20/h1-3,6-11H,4-5,12,15-19H2,(H2,31,35)(H,32,36)