N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butyramide Formula: C18H17BrN2O2S2 MolecularWeight: 437.37378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C18H17BrN2O2S2/c1-23-13-5-7-14(8-6-13)24-10-2-3-17(22)21-18-20-15-9-4-12(19)11-16(15)25-18/h4-9,11H,2-3,10H2,1H3,(H,20,21,22)