N-[2-[2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide

Systemtic Name: N-[2-[2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Openeye Name: N-[2-[2-(4-bromo-2-chloro-anilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide CAS Name: N-[2-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]butanamide IUPAC Name: N-[2-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Traditional Name: N-[2-[[2-(4-bromo-2-chloro-anilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]butyramide Formula: C19H17BrClN3O2S2 MolecularWeight: 498.84418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C19H17BrClN3O2S2/c1-2-3-17(25)22-12-5-7-15-16(9-12)28-19(24-15)27-10-18(26)23-14-6-4-11(20)8-13(14)21/h4-9H,2-3,10H2,1H3,(H,22,25)(H,23,26)