N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-benzylsulfanyl-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(benzylthio)-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide Formula: C22H18ClN3OS2 MolecularWeight: 439.98082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN3OS2/c23-18-8-9-19-20(11-18)29-22(25-19)26(13-17-7-4-10-24-12-17)21(27)15-28-14-16-5-2-1-3-6-16/h1-12H,13-15H2