1-(1-adamantyl)-3-[(1-ethyl-2-methyl-benzimidazol-5-yl)carbonylamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(1-ethyl-2-methyl-benzimidazol-5-yl)carbonylamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(1-ethyl-2-methyl-benzimidazole-5-carbonyl)amino]thiourea CAS Name: 1-(1-adamantyl)-3-[[(1-ethyl-2-methyl-5-benzimidazolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(1-ethyl-2-methyl-benzimidazole-5-carbonyl)amino]thiourea Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C22H29N5OS/c1-3-27-13(2)23-18-9-17(4-5-19(18)27)20(28)25-26-21(29)24-22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,14-16H,3,6-8,10-12H2,1-2H3,(H,25,28)(H2,24,26,29)