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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butanamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfanyl-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-(benzylthio)-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butyramide Formula: C24H22ClN3OS2 MolecularWeight: 468.03398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCC(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)CSCCCC(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C24H22ClN3OS2/c25-20-10-4-11-21-23(20)27-24(31-21)28(16-19-9-5-13-26-15-19)22(29)12-6-14-30-17-18-7-2-1-3-8-18/h1-5,7-11,13,15H,6,12,14,16-17H2