N-[3-(1,3-benzothiazol-2-yl)-4-(4-methylphenyl)carbonyl-5-oxidanyl-1-phenyl-pyrrol-2-yl]-4-methyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4-(4-methylphenyl)carbonyl-5-oxidanyl-1-phenyl-pyrrol-2-yl]-4-methyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-5-hydroxy-4-(4-methylbenzoyl)-1-phenyl-pyrrol-2-yl]-4-methyl-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-5-hydroxy-4-[(4-methylphenyl)-oxomethyl]-1-phenyl-2-pyrrolyl]-4-methylbenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-5-hydroxy-4-(4-methylbenzoyl)-1-phenylpyrrol-2-yl]-4-methylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-5-hydroxy-1-phenyl-4-p-toluoyl-pyrrol-2-yl]-4-methyl-benzamide Formula: C33H25N3O3S MolecularWeight: 543.6349

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(N(C(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(C=C5)C)C6=CC=CC=C6)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(N(C(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(C=C5)C)C6=CC=CC=C6)O

InChI

InChI=1S/C33H25N3O3S/c1-20-12-16-22(17-13-20)29(37)27-28(32-34-25-10-6-7-11-26(25)40-32)30(35-31(38)23-18-14-21(2)15-19-23)36(33(27)39)24-8-4-3-5-9-24/h3-19,39H,1-2H3,(H,35,38)