[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate

Systemtic Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate Openeye Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazinecarboximidothioic 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] 4-methyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazine-1-carboximidothioic acid [2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C22H25N5OS2 MolecularWeight: 439.5968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC(=NC3=CC=CC=C3)N4CCN(CC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC(=NC3=CC=CC=C3)N4CCN(CC4)C

InChI

InChI=1S/C22H25N5OS2/c1-16-8-9-18-19(14-16)30-21(24-18)25-20(28)15-29-22(23-17-6-4-3-5-7-17)27-12-10-26(2)11-13-27/h3-9,14H,10-13,15H2,1-2H3,(H,24,25,28)