N-[2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methyl-propanamide

Systemtic Name: N-[2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methyl-propanamide Openeye Name: N-[2-[2-(3,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methyl-propanamide CAS Name: N-[2-[[2-(3,5-dimethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-methylpropanamide IUPAC Name: N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methylpropanamide Traditional Name: N-[2-[[2-(3,5-dimethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-methyl-propionamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C(C)C)C

InChI

InChI=1S/C21H23N3O2S2/c1-12(2)20(26)23-15-5-6-17-18(10-15)28-21(24-17)27-11-19(25)22-16-8-13(3)7-14(4)9-16/h5-10,12H,11H2,1-4H3,(H,22,25)(H,23,26)