N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butanamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfanyl-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-(benzylthio)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butyramide Formula: C24H22BrN3OS2 MolecularWeight: 512.48498

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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=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CSCCCC(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C24H22BrN3OS2/c25-20-10-11-21-22(14-20)31-24(27-21)28(16-19-8-4-12-26-15-19)23(29)9-5-13-30-17-18-6-2-1-3-7-18/h1-4,6-8,10-12,14-15H,5,9,13,16-17H2