1-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-propan-2-yl-benzimidazol-5-yl]-3-propan-2-yl-urea

Systemtic Name: 1-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-propan-2-yl-benzimidazol-5-yl]-3-propan-2-yl-urea Openeye Name: 1-isopropyl-3-[1-isopropyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]urea CAS Name: 1-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1-propan-2-yl-5-benzimidazolyl]-3-propan-2-ylurea IUPAC Name: 1-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1-propan-2-ylbenzimidazol-5-yl]-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-[1-isopropyl-2-[(2-methoxy-5-nitro-benzyl)thio]benzimidazol-5-yl]urea Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC2=C(C=C1)N(C(=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C(C)C

Isomeric SMILES

CC(C)NC(=O)NC1=CC2=C(C=C1)N(C(=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C(C)C

InChI

InChI=1S/C22H27N5O4S/c1-13(2)23-21(28)24-16-6-8-19-18(11-16)25-22(26(19)14(3)4)32-12-15-10-17(27(29)30)7-9-20(15)31-5/h6-11,13-14H,12H2,1-5H3,(H2,23,24,28)