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

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-3-methyl-phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-3-methyl-phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-3-methylphenyl]-4-(2,5-dimethyl-1-pyrrolyl)benzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-3-methylphenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-3-methyl-phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide Formula: C27H23N3OS MolecularWeight: 437.55602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3OS/c1-17-16-21(12-15-23(17)27-29-24-6-4-5-7-25(24)32-27)28-26(31)20-10-13-22(14-11-20)30-18(2)8-9-19(30)3/h4-16H,1-3H3,(H,28,31)