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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylanilino)-2-keto-ethyl]propionamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/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/h3-9H,10-12H2,1-2H3,(H,21,24)(H,23,25)