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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-(phenylthio)-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-(phenylthio)-N-(2-pyridylmethyl)butyramide Formula: C23H20ClN3OS2 MolecularWeight: 454.0074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C23H20ClN3OS2/c24-19-11-6-12-20-22(19)26-23(30-20)27(16-17-8-4-5-14-25-17)21(28)13-7-15-29-18-9-2-1-3-10-18/h1-6,8-12,14H,7,13,15-16H2