N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=NC3=C(C=C(C=C3S2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=NC3=C(C=C(C=C3S2)C)C

InChI

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