N-cyclohexylcyclohexanamine; 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzoic acid Openeye Name: N-cyclohexylcyclohexanamine; 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzoic acid CAS Name: N-cyclohexylcyclohexanamine; 4-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]benzoic acid IUPAC Name: N-cyclohexylcyclohexanamine; 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: dicyclohexylamine; 4-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]benzoic acid Formula: C28H37N3O3S MolecularWeight: 495.67668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(C=C3)C(=O)O.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(C=C3)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C16H14N2O3S.C12H23N/c1-21-12-6-7-13-14(8-12)18-16(17-13)22-9-10-2-4-11(5-3-10)15(19)20;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-8H,9H2,1H3,(H,17,18)(H,19,20);11-13H,1-10H2