N-[2-[(6-chloranyl-1,3-benzothiazol-2-yl)diazenyl]-5-(1-cyanoheptan-3-ylamino)phenyl]ethanamide

Systemtic Name: N-[2-[(6-chloranyl-1,3-benzothiazol-2-yl)diazenyl]-5-(1-cyanoheptan-3-ylamino)phenyl]ethanamide Openeye Name: N-[2-[(6-chloro-1,3-benzothiazol-2-yl)azo]-5-[1-(2-cyanoethyl)pentylamino]phenyl]acetamide CAS Name: N-[2-[(6-chloro-1,3-benzothiazol-2-yl)azo]-5-(1-cyanoheptan-3-ylamino)phenyl]acetamide IUPAC Name: N-[2-[(6-chloro-1,3-benzothiazol-2-yl)diazenyl]-5-(1-cyanoheptan-3-ylamino)phenyl]acetamide Traditional Name: N-[2-[(6-chloro-1,3-benzothiazol-2-yl)azo]-5-[1-(2-cyanoethyl)pentylamino]phenyl]acetamide Formula: C23H25ClN6OS MolecularWeight: 469.0022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC#N)NC1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)Cl)NC(=O)C

Isomeric SMILES

CCCCC(CCC#N)NC1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)Cl)NC(=O)C

InChI

InChI=1S/C23H25ClN6OS/c1-3-4-6-17(7-5-12-25)27-18-9-11-19(21(14-18)26-15(2)31)29-30-23-28-20-10-8-16(24)13-22(20)32-23/h8-11,13-14,17,27H,3-7H2,1-2H3,(H,26,31)