3-[4-[3-(1-adamantyl)-5-ethoxy-2-oxidanylidene-benzimidazol-1-yl]sulfonyl-3-methoxy-phenyl]-1,1-diethyl-urea

Systemtic Name: 3-[4-[3-(1-adamantyl)-5-ethoxy-2-oxidanylidene-benzimidazol-1-yl]sulfonyl-3-methoxy-phenyl]-1,1-diethyl-urea Openeye Name: 3-[4-[3-(1-adamantyl)-5-ethoxy-2-oxo-benzimidazol-1-yl]sulfonyl-3-methoxy-phenyl]-1,1-diethyl-urea CAS Name: 3-[4-[[3-(1-adamantyl)-5-ethoxy-2-oxo-1-benzimidazolyl]sulfonyl]-3-methoxyphenyl]-1,1-diethylurea IUPAC Name: 3-[4-[3-(1-adamantyl)-5-ethoxy-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxyphenyl]-1,1-diethylurea Traditional Name: 3-[4-[3-(1-adamantyl)-5-ethoxy-2-keto-benzimidazol-1-yl]sulfonyl-3-methoxy-phenyl]-1,1-diethyl-urea Formula: C31H40N4O6S MolecularWeight: 596.7375

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)NC1=CC(=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OCC)N(C2=O)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

CCN(CC)C(=O)NC1=CC(=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OCC)N(C2=O)C45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C31H40N4O6S/c1-5-33(6-2)29(36)32-23-8-11-28(27(15-23)40-4)42(38,39)35-25-10-9-24(41-7-3)16-26(25)34(30(35)37)31-17-20-12-21(18-31)14-22(13-20)19-31/h8-11,15-16,20-22H,5-7,12-14,17-19H2,1-4H3,(H,32,36)