4-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-N-(4-methyl-2-oxidanyl-phenyl)benzamide

Systemtic Name: 4-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-N-(4-methyl-2-oxidanyl-phenyl)benzamide Openeye Name: 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-(2-hydroxy-4-methyl-phenyl)benzamide CAS Name: 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-(2-hydroxy-4-methylphenyl)benzamide IUPAC Name: 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-(2-hydroxy-4-methylphenyl)benzamide Traditional Name: 4-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]-N-(2-hydroxy-4-methyl-phenyl)benzamide Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N3CC(=O)C(=C3N)C4=NC5=CC=CC=C5S4)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N3CC(=O)C(=C3N)C4=NC5=CC=CC=C5S4)O

InChI

InChI=1S/C25H20N4O3S/c1-14-6-11-17(19(30)12-14)27-24(32)15-7-9-16(10-8-15)29-13-20(31)22(23(29)26)25-28-18-4-2-3-5-21(18)33-25/h2-12,30H,13,26H2,1H3,(H,27,32)