4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[1-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]benzamide Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCC(=O)N2)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H21N3O3S2/c1-15(18-10-11-21-20(12-18)27-23(29)13-31-21)26-24(30)17-8-6-16(7-9-17)14-32-25-28-19-4-2-3-5-22(19)33-25/h2-12,15H,13-14H2,1H3,(H,26,30)(H,27,29)