N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-benzylsulfanyl-acetamide CAS Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(phenylmethylthio)acetamide IUPAC Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-benzylsulfanylacetamide Traditional Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(benzylthio)acetamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CCOC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CCOC

InChI

InChI=1S/C21H23N3O3S2/c1-15(25)22-17-8-9-18-19(12-17)29-21(24(18)10-11-27-2)23-20(26)14-28-13-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,25)