N-[4-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-4-(2,5-dimethyl-1-pyrrolyl)benzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide Formula: C26H20ClN3OS MolecularWeight: 457.9745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C4=NC5=CC=CC=C5S4)Cl)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C4=NC5=CC=CC=C5S4)Cl)C

InChI

InChI=1S/C26H20ClN3OS/c1-16-7-8-17(2)30(16)20-12-9-18(10-13-20)25(31)28-22-14-11-19(15-21(22)27)26-29-23-5-3-4-6-24(23)32-26/h3-15H,1-2H3,(H,28,31)