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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]propanamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[2-(2,6-dimethylanilino)-2-keto-ethyl]propionamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O2S2/c1-12-7-6-8-13(2)18(12)23-17(24)11-21-19(25)14(3)26-20-22-15-9-4-5-10-16(15)27-20/h4-10,14H,11H2,1-3H3,(H,21,25)(H,23,24)