methyl N-[[2-[[4-[bis(2-azanylideneethyl)sulfamoyl]phenyl]carbonylamino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]carbonyl]carbamate

Systemtic Name: methyl N-[[2-[[4-[bis(2-azanylideneethyl)sulfamoyl]phenyl]carbonylamino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]carbonyl]carbamate Openeye Name: methyl N-[6-benzyl-2-[[4-[bis(2-iminoethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate CAS Name: N-[[2-[[[4-[bis(2-iminoethyl)sulfamoyl]phenyl]-oxomethyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-oxomethyl]carbamic acid methyl ester IUPAC Name: methyl N-[6-benzyl-2-[[4-[bis(2-iminoethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate Traditional Name: N-[6-benzyl-2-[[4-[bis(2-iminoethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamic acid methyl ester Formula: C28H30N6O6S2 MolecularWeight: 610.7044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N(CC=N)CC=N

Isomeric SMILES

COC(=O)NC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N(CC=N)CC=N

InChI

InChI=1S/C28H30N6O6S2/c1-40-28(37)32-26(36)24-22-11-14-33(17-19-5-3-2-4-6-19)18-23(22)41-27(24)31-25(35)20-7-9-21(10-8-20)42(38,39)34(15-12-29)16-13-30/h2-10,12-13,29-30H,11,14-18H2,1H3,(H,31,35)(H,32,36,37)