N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-benzylsulfanyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(benzylthio)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide Formula: C23H20ClN3OS2 MolecularWeight: 454.0074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CN=CC=C3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CN=CC=C3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C23H20ClN3OS2/c1-16-9-10-19(24)22-21(16)26-23(30-22)27(13-18-8-5-11-25-12-18)20(28)15-29-14-17-6-3-2-4-7-17/h2-12H,13-15H2,1H3