N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-methyl-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)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O2S2/c1-14-8-10-16(11-9-14)22-19(25)13-27-15(2)21(26)24(3)12-20-23-17-6-4-5-7-18(17)28-20/h4-11,15H,12-13H2,1-3H3,(H,22,25)