4-[2-[3-(butylamino)-3-oxidanylidene-propyl]-1,3-benzothiazol-5-yl]benzoic acid

Systemtic Name: 4-[2-[3-(butylamino)-3-oxidanylidene-propyl]-1,3-benzothiazol-5-yl]benzoic acid Openeye Name: 4-[2-[3-(butylamino)-3-oxo-propyl]-1,3-benzothiazol-5-yl]benzoic acid CAS Name: 4-[2-[3-(butylamino)-3-oxopropyl]-1,3-benzothiazol-5-yl]benzoic acid IUPAC Name: 4-[2-[3-(butylamino)-3-oxopropyl]-1,3-benzothiazol-5-yl]benzoic acid Traditional Name: 4-[2-[3-(butylamino)-3-keto-propyl]-1,3-benzothiazol-5-yl]benzoic acid Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCC1=NC2=C(S1)C=CC(=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCNC(=O)CCC1=NC2=C(S1)C=CC(=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H22N2O3S/c1-2-3-12-22-19(24)10-11-20-23-17-13-16(8-9-18(17)27-20)14-4-6-15(7-5-14)21(25)26/h4-9,13H,2-3,10-12H2,1H3,(H,22,24)(H,25,26)