2-morpholin-4-ylcarbonyl-N-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-morpholin-4-ylcarbonyl-N-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-2-(morpholine-4-carbonyl)benzamide CAS Name: 2-[4-morpholinyl(oxo)methyl]-N-[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-2-(morpholine-4-carbonyl)benzamide Traditional Name: N-[2-(benzylthio)-1,3-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide Formula: C26H23N3O3S2 MolecularWeight: 489.60912

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=CC=C5

InChI

InChI=1S/C26H23N3O3S2/c30-24(20-8-4-5-9-21(20)25(31)29-12-14-32-15-13-29)27-19-10-11-22-23(16-19)34-26(28-22)33-17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,30)