3-(1,3-benzothiazol-2-yl)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]prop-2-enamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]prop-2-enamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]prop-2-enamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-propenamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]prop-2-enamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylanilino)-2-keto-ethyl]acrylamide Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C=CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H19N3O2S/c1-13-6-5-7-14(2)20(13)23-18(25)12-21-17(24)10-11-19-22-15-8-3-4-9-16(15)26-19/h3-11H,12H2,1-2H3,(H,21,24)(H,23,25)