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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C20H21N3O2S2/c1-12-4-7-15(8-5-12)21-18(24)11-26-14(3)19(25)23-20-22-16-9-6-13(2)10-17(16)27-20/h4-10,14H,11H2,1-3H3,(H,21,24)(H,22,23,25)