N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(3-pyridylmethyl)acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(phenylthio)-N-(3-pyridinylmethyl)acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(phenylthio)-N-(3-pyridylmethyl)acetamide Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C22H19N3OS2/c1-16-9-10-19-20(12-16)28-22(24-19)25(14-17-6-5-11-23-13-17)21(26)15-27-18-7-3-2-4-8-18/h2-13H,14-15H2,1H3