N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfanyl-benzamide

Systemtic Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfanyl-benzamide Openeye Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfanyl-benzamide CAS Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(methylthio)benzamide IUPAC Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfanylbenzamide Traditional Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(methylthio)benzamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S2/c1-13(24)21-15-6-9-17-18(12-15)28-20(23(17)10-11-26-2)22-19(25)14-4-7-16(27-3)8-5-14/h4-9,12H,10-11H2,1-3H3,(H,21,24)