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

Systemtic Name: N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[(4-methoxyphenyl)thio]butyramide Formula: C21H23BrN2O3S2 MolecularWeight: 495.45292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O3S2/c1-26-12-11-24-18-10-5-15(22)14-19(18)29-21(24)23-20(25)4-3-13-28-17-8-6-16(27-2)7-9-17/h5-10,14H,3-4,11-13H2,1-2H3