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

Systemtic Name: N-(4-bromanyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-(4-bromo-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(4-bromo-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-(4-bromo-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-(4-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=CC=C3Br

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C=CC=C3Br

InChI

InChI=1S/C18H17BrN2O2S2/c1-23-12-7-9-13(10-8-12)24-11-3-6-16(22)20-18-21-17-14(19)4-2-5-15(17)25-18/h2,4-5,7-10H,3,6,11H2,1H3,(H,20,21,22)