N-(1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-benzylsulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(phenylmethylthio)-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-benzylsulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(benzylthio)-N-(2-pyridylmethyl)butyramide Formula: C24H23N3OS2 MolecularWeight: 433.58892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCC(=O)N(CC2=CC=CC=N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CSCCCC(=O)N(CC2=CC=CC=N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H23N3OS2/c28-23(14-8-16-29-18-19-9-2-1-3-10-19)27(17-20-11-6-7-15-25-20)24-26-21-12-4-5-13-22(21)30-24/h1-7,9-13,15H,8,14,16-18H2