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

Systemtic Name: 1-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-propan-2-yl-benzimidazol-5-yl]-3-methyl-urea Openeye Name: 1-[1-isopropyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]benzimidazol-5-yl]-3-methyl-urea CAS Name: 1-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1-propan-2-yl-5-benzimidazolyl]-3-methylurea IUPAC Name: 1-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1-propan-2-ylbenzimidazol-5-yl]-3-methylurea Traditional Name: 1-[1-isopropyl-2-[(2-methoxy-5-nitro-benzyl)thio]benzimidazol-5-yl]-3-methyl-urea Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)NC(=O)NC)N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)NC(=O)NC)N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N5O4S/c1-12(2)24-17-7-5-14(22-19(26)21-3)10-16(17)23-20(24)30-11-13-9-15(25(27)28)6-8-18(13)29-4/h5-10,12H,11H2,1-4H3,(H2,21,22,26)