[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate

Systemtic Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid [2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C21H22N4OS2 MolecularWeight: 410.55558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC(=NC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC(=NC3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C21H22N4OS2/c1-15-9-10-17-18(13-15)28-20(23-17)24-19(26)14-27-21(25-11-5-6-12-25)22-16-7-3-2-4-8-16/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,23,24,26)