[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-[3-(N-methylanilino)propylamino]ethyl] ester Formula: C20H21N3O3S MolecularWeight: 383.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)COC(=O)C1=CC2=C(C=C1)N=CS2)C3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)COC(=O)C1=CC2=C(C=C1)N=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S/c1-23(16-6-3-2-4-7-16)11-5-10-21-19(24)13-26-20(25)15-8-9-17-18(12-15)27-14-22-17/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,21,24)