2-morpholin-4-ylcarbonyl-N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 2-morpholin-4-ylcarbonyl-N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 2-(morpholine-4-carbonyl)-N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 2-[4-morpholinyl(oxo)methyl]-N-[2-(phenacylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-(morpholine-4-carbonyl)-N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 2-(morpholine-4-carbonyl)-N-[2-(phenacylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C27H23N3O4S2 MolecularWeight: 517.61922

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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)SCC(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O4S2/c31-23(18-6-2-1-3-7-18)17-35-27-29-22-11-10-19(16-24(22)36-27)28-25(32)20-8-4-5-9-21(20)26(33)30-12-14-34-15-13-30/h1-11,16H,12-15,17H2,(H,28,32)