2-morpholin-4-ylcarbonyl-N-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-morpholin-4-ylcarbonyl-N-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-(2-anilino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide CAS Name: N-[2-[(2-anilino-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]-2-[4-morpholinyl(oxo)methyl]benzamide IUPAC Name: N-[2-(2-anilino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide Traditional Name: N-[2-[(2-anilino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide Formula: C27H24N4O4S2 MolecularWeight: 532.63386

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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)NC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O4S2/c32-24(28-18-6-2-1-3-7-18)17-36-27-30-22-11-10-19(16-23(22)37-27)29-25(33)20-8-4-5-9-21(20)26(34)31-12-14-35-15-13-31/h1-11,16H,12-15,17H2,(H,28,32)(H,29,33)