3-[6-(1-azanyl-2-methyl-propan-2-yl)-1H-benzimidazol-2-yl]-2-methoxy-6-methyl-benzenethiol

Systemtic Name: 3-[6-(1-azanyl-2-methyl-propan-2-yl)-1H-benzimidazol-2-yl]-2-methoxy-6-methyl-benzenethiol Openeye Name: 3-[6-(2-amino-1,1-dimethyl-ethyl)-1H-benzimidazol-2-yl]-2-methoxy-6-methyl-benzenethiol CAS Name: 3-[6-(1-amino-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]-2-methoxy-6-methylbenzenethiol IUPAC Name: 3-[6-(1-amino-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]-2-methoxy-6-methylbenzenethiol Traditional Name: 3-[6-(2-amino-1,1-dimethyl-ethyl)-1H-benzimidazol-2-yl]-2-methoxy-6-methyl-benzenethiol Formula: C19H23N3OS MolecularWeight: 341.47042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(C)(C)CN)OC)S

Isomeric SMILES

CC1=C(C(=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(C)(C)CN)OC)S

InChI

InChI=1S/C19H23N3OS/c1-11-5-7-13(16(23-4)17(11)24)18-21-14-8-6-12(9-15(14)22-18)19(2,3)10-20/h5-9,24H,10,20H2,1-4H3,(H,21,22)