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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-benzylsulfanyl-N-(3-pyridylmethyl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(phenylmethylthio)-N-(3-pyridinylmethyl)butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-benzylsulfanyl-N-(pyridin-3-ylmethyl)butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(benzylthio)-N-(3-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=CN=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CSCCCC(=O)N(CC2=CN=CC=C2)C3=NC4=CC=CC=C4S3

InChI

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