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

Systemtic Name: 2,2-dimethyl-N-[2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Openeye Name: 2,2-dimethyl-N-[2-[2-(2-methylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide CAS Name: 2,2-dimethyl-N-[2-[[2-(2-methylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 2,2-dimethyl-N-[2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[[2-keto-2-(o-toluidino)ethyl]thio]-1,3-benzothiazol-6-yl]-2,2-dimethyl-propionamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C(C)(C)C

InChI

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