4-[2-(1,3-benzothiazol-2-yl)-5-phenylmethoxy-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(1,3-benzothiazol-2-yl)-5-phenylmethoxy-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(1,3-benzothiazol-2-yl)-5-benzyloxy-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(1,3-benzothiazol-2-yl)-5-phenylmethoxy-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(1,3-benzothiazol-2-yl)-5-phenylmethoxy-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(1,3-benzothiazol-2-yl)-5-benzoxy-1H-indol-3-yl]butylamine Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3CCCCN)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3CCCCN)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H25N3OS/c27-15-7-6-10-20-21-16-19(30-17-18-8-2-1-3-9-18)13-14-22(21)28-25(20)26-29-23-11-4-5-12-24(23)31-26/h1-5,8-9,11-14,16,28H,6-7,10,15,17,27H2