1-[3-[1,3-benzothiazol-2-yl(butyl)amino]propoxy]naphthalene-2-carboxylic acid

Systemtic Name: 1-[3-[1,3-benzothiazol-2-yl(butyl)amino]propoxy]naphthalene-2-carboxylic acid Openeye Name: 1-[3-[1,3-benzothiazol-2-yl(butyl)amino]propoxy]naphthalene-2-carboxylic acid CAS Name: 1-[3-[1,3-benzothiazol-2-yl(butyl)amino]propoxy]-2-naphthalenecarboxylic acid IUPAC Name: 1-[3-[1,3-benzothiazol-2-yl(butyl)amino]propoxy]naphthalene-2-carboxylic acid Traditional Name: 1-[3-[1,3-benzothiazol-2-yl(butyl)amino]propoxy]-2-naphthoic acid Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCOC1=C(C=CC2=CC=CC=C21)C(=O)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCN(CCCOC1=C(C=CC2=CC=CC=C21)C(=O)O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H26N2O3S/c1-2-3-15-27(25-26-21-11-6-7-12-22(21)31-25)16-8-17-30-23-19-10-5-4-9-18(19)13-14-20(23)24(28)29/h4-7,9-14H,2-3,8,15-17H2,1H3,(H,28,29)