2-[[(7aR)-7aH-1,3-benzothiazol-2-yl]diazenyl]-5-(dipropylamino)benzoic acid

Systemtic Name: 2-[[(7aR)-7aH-1,3-benzothiazol-2-yl]diazenyl]-5-(dipropylamino)benzoic acid Openeye Name: 2-[[(7aR)-7aH-1,3-benzothiazol-2-yl]azo]-5-(dipropylamino)benzoic acid CAS Name: 2-[[(7aR)-7aH-1,3-benzothiazol-2-yl]azo]-5-(dipropylamino)benzoic acid IUPAC Name: 2-[[(7aR)-7aH-1,3-benzothiazol-2-yl]diazenyl]-5-(dipropylamino)benzoic acid Traditional Name: 2-[[(7aR)-7aH-1,3-benzothiazol-2-yl]azo]-5-(dipropylamino)benzoic acid Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=C(C=C1)N=NC2=NC3=CC=C=CC3S2)C(=O)O

Isomeric SMILES

CCCN(CCC)C1=CC(=C(C=C1)N=NC2=NC3=CC=C=C[C@H]3S2)C(=O)O

InChI

InChI=1S/C20H22N4O2S/c1-3-11-24(12-4-2)14-9-10-16(15(13-14)19(25)26)22-23-20-21-17-7-5-6-8-18(17)27-20/h5,7-10,13,18H,3-4,11-12H2,1-2H3,(H,25,26)/t18-/m1/s1