N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethylpyrrol-1-yl)-N-phenethyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethylpyrrol-1-yl)-N-phenethyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethylpyrrol-1-yl)-N-phenethyl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethyl-1-pyrrolyl)-N-phenethylbenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethylpyrrol-1-yl)-N-phenethylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethylpyrrol-1-yl)-N-phenethyl-benzamide Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N(CCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N(CCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C28H25N3OS/c1-20-12-13-21(2)31(20)24-16-14-23(15-17-24)27(32)30(19-18-22-8-4-3-5-9-22)28-29-25-10-6-7-11-26(25)33-28/h3-17H,18-19H2,1-2H3