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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-(2-methyl-1,3-benzothiazol-6-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=CC3=C(C=C2)N=C(S3)C

Isomeric SMILES

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

InChI

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