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

Systemtic Name: 3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-N-(3-methylsulfanylphenyl)benzamide Openeye Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-(3-methylsulfanylphenyl)benzamide CAS Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-[3-(methylthio)phenyl]benzamide IUPAC Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-(3-methylsulfanylphenyl)benzamide Traditional Name: 3-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]-N-[3-(methylthio)phenyl]benzamide Formula: C25H20N4O2S2 MolecularWeight: 472.5819

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)N3CC(=O)C(=C3N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)N3CC(=O)C(=C3N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H20N4O2S2/c1-32-18-9-5-7-16(13-18)27-24(31)15-6-4-8-17(12-15)29-14-20(30)22(23(29)26)25-28-19-10-2-3-11-21(19)33-25/h2-13H,14,26H2,1H3,(H,27,31)