3-(4-azanylbutyl)-2-(1,3-benzothiazol-2-yl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(1,3-benzothiazol-2-yl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(1,3-benzothiazol-2-yl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(1,3-benzothiazol-2-yl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(1,3-benzothiazol-2-yl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(1,3-benzothiazol-2-yl)-1H-indole-5-carboxylic acid Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C4=C(N3)C=CC(=C4)C(=O)O)CCCCN

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C4=C(N3)C=CC(=C4)C(=O)O)CCCCN

InChI

InChI=1S/C20H19N3O2S/c21-10-4-3-5-13-14-11-12(20(24)25)8-9-15(14)22-18(13)19-23-16-6-1-2-7-17(16)26-19/h1-2,6-9,11,22H,3-5,10,21H2,(H,24,25)