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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)butanamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)butanamide Traditional Name: 4-(benzylthio)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furfuryl)butyramide Formula: C23H21BrN2O2S2 MolecularWeight: 501.45904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CSCCCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C23H21BrN2O2S2/c24-18-10-11-20-21(14-18)30-23(25-20)26(15-19-8-4-12-28-19)22(27)9-5-13-29-16-17-6-2-1-3-7-17/h1-4,6-8,10-12,14H,5,9,13,15-16H2