1-[4-[2-(3H-benzimidazol-5-yloxy)-4-[2-[[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-yl]methyl]phenoxy]butan-2-yl]phenyl]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[4-[2-(3H-benzimidazol-5-yloxy)-4-[2-[[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-yl]methyl]phenoxy]butan-2-yl]phenyl]-3-(4-nitrophenyl)urea Openeye Name: 1-[4-[1-(3H-benzimidazol-5-yloxy)-3-[2-[(2,4-dioxothiazolidin-5-yl)methyl]phenoxy]-1-methyl-propyl]phenyl]-3-(4-nitrophenyl)urea CAS Name: 1-[4-[2-(3H-benzimidazol-5-yloxy)-4-[2-[(2,4-dioxo-5-thiazolidinyl)methyl]phenoxy]butan-2-yl]phenyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[4-[2-(3H-benzimidazol-5-yloxy)-4-[2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]butan-2-yl]phenyl]-3-(4-nitrophenyl)urea Traditional Name: 1-[4-[1-(3H-benzimidazol-5-yloxy)-3-[2-[(2,4-diketothiazolidin-5-yl)methyl]phenoxy]-1-methyl-propyl]phenyl]-3-(4-nitrophenyl)urea Formula: C34H30N6O7S MolecularWeight: 666.703

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=CC=CC=C1CC2C(=O)NC(=O)S2)(C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])OC5=CC6=C(C=C5)N=CN6

Isomeric SMILES

CC(CCOC1=CC=CC=C1CC2C(=O)NC(=O)S2)(C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])OC5=CC6=C(C=C5)N=CN6

InChI

InChI=1S/C34H30N6O7S/c1-34(47-26-14-15-27-28(19-26)36-20-35-27,16-17-46-29-5-3-2-4-21(29)18-30-31(41)39-33(43)48-30)22-6-8-23(9-7-22)37-32(42)38-24-10-12-25(13-11-24)40(44)45/h2-15,19-20,30H,16-18H2,1H3,(H,35,36)(H2,37,38,42)(H,39,41,43)