N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-benzylsulfanyl-acetamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)acetamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-benzylsulfanylacetamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(benzylthio)acetamide Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2S2/c1-12(22)19-14-7-8-15-16(9-14)25-18(20-15)21-17(23)11-24-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21,23)