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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]propionamide Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18BrN3O2S/c1-12-10-13(20)6-7-14(12)22-18(25)11-21-17(24)8-9-19-23-15-4-2-3-5-16(15)26-19/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,25)