N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]acetamide CAS Name: N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-(benzylthio)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]acetamide Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CCOC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CCOC)C

InChI

InChI=1S/C21H24N2O2S2/c1-15-11-16(2)20-18(12-15)23(9-10-25-3)21(27-20)22-19(24)14-26-13-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13-14H2,1-3H3