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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4-(4-methylphenyl)carbonyl-5-oxidanyl-1-(4-propan-2-ylphenyl)pyrrol-2-yl]-4-methyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-5-hydroxy-1-(4-isopropylphenyl)-4-(4-methylbenzoyl)pyrrol-2-yl]-4-methyl-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-5-hydroxy-4-[(4-methylphenyl)-oxomethyl]-1-(4-propan-2-ylphenyl)-2-pyrrolyl]-4-methylbenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-5-hydroxy-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)pyrrol-2-yl]-4-methylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-5-hydroxy-1-p-cumenyl-4-p-toluoyl-pyrrol-2-yl]-4-methyl-benzamide Formula: C36H31N3O3S MolecularWeight: 585.71464

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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=C(C=C6)C(C)C)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=C(C=C6)C(C)C)O

InChI

InChI=1S/C36H31N3O3S/c1-21(2)24-17-19-27(20-18-24)39-33(38-34(41)26-15-11-23(4)12-16-26)31(35-37-28-7-5-6-8-29(28)43-35)30(36(39)42)32(40)25-13-9-22(3)10-14-25/h5-21,42H,1-4H3,(H,38,41)