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

Systemtic Name: 1-[(2R)-2-ethylhexyl]-3-[(1-ethyl-2-methyl-benzimidazol-5-yl)carbonylamino]thiourea Openeye Name: 1-[(2R)-2-ethylhexyl]-3-[(1-ethyl-2-methyl-benzimidazole-5-carbonyl)amino]thiourea CAS Name: 1-[(2R)-2-ethylhexyl]-3-[[(1-ethyl-2-methyl-5-benzimidazolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(2R)-2-ethylhexyl]-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]thiourea Traditional Name: 1-[(2R)-2-ethylhexyl]-3-[(1-ethyl-2-methyl-benzimidazole-5-carbonyl)amino]thiourea Formula: C20H31N5OS MolecularWeight: 389.55804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NNC(=O)C1=CC2=C(C=C1)N(C(=N2)C)CC

Isomeric SMILES

CCCC[C@@H](CC)CNC(=S)NNC(=O)C1=CC2=C(C=C1)N(C(=N2)C)CC

InChI

InChI=1S/C20H31N5OS/c1-5-8-9-15(6-2)13-21-20(27)24-23-19(26)16-10-11-18-17(12-16)22-14(4)25(18)7-3/h10-12,15H,5-9,13H2,1-4H3,(H,23,26)(H2,21,24,27)/t15-/m1/s1