N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide Openeye Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide CAS Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylthio)butanamide IUPAC Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanylbutanamide Traditional Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylthio)butyramide Formula: C20H21BrN2O2S2 MolecularWeight: 465.42694

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C20H21BrN2O2S2/c1-25-12-11-23-17-10-9-15(21)14-18(17)27-20(23)22-19(24)8-5-13-26-16-6-3-2-4-7-16/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3