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

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]butyramide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20BrN3O2S/c1-13-11-14(21)9-10-15(13)23-19(26)12-22-18(25)7-4-8-20-24-16-5-2-3-6-17(16)27-20/h2-3,5-6,9-11H,4,7-8,12H2,1H3,(H,22,25)(H,23,26)