N-(4-acetamido-3-methyl-phenyl)-2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanamide

Systemtic Name: N-(4-acetamido-3-methyl-phenyl)-2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanamide Openeye Name: N-(4-acetamido-3-methyl-phenyl)-2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetamide CAS Name: N-(4-acetamido-3-methylphenyl)-2-(1,3-benzothiazol-2-ylmethylthio)acetamide IUPAC Name: N-(4-acetamido-3-methylphenyl)-2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetamide Traditional Name: N-(4-acetamido-3-methyl-phenyl)-2-(1,3-benzothiazol-2-ylmethylthio)acetamide Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2)NC(=O)C

InChI

InChI=1S/C19H19N3O2S2/c1-12-9-14(7-8-15(12)20-13(2)23)21-18(24)10-25-11-19-22-16-5-3-4-6-17(16)26-19/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,24)