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

Systemtic Name: 3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]benzamide Openeye Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]benzamide CAS Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]benzamide IUPAC Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]benzamide Traditional Name: 3-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]-N-p-anisyl-benzamide Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)N3CC(=O)C(=C3N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)N3CC(=O)C(=C3N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H22N4O3S/c1-33-19-11-9-16(10-12-19)14-28-25(32)17-5-4-6-18(13-17)30-15-21(31)23(24(30)27)26-29-20-7-2-3-8-22(20)34-26/h2-13H,14-15,27H2,1H3,(H,28,32)