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

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C20H21N3O2S3 MolecularWeight: 431.59464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC

InChI

InChI=1S/C20H21N3O2S3/c1-12-4-6-14(7-5-12)21-18(24)11-27-13(2)19(25)22-15-8-9-16-17(10-15)28-20(23-16)26-3/h4-10,13H,11H2,1-3H3,(H,21,24)(H,22,25)