S-(4-methylpiperazin-1-yl) N-[5-(4-methylpiperidin-1-yl)-1,3-benzothiazol-2-yl]carbamothioate

Systemtic Name: S-(4-methylpiperazin-1-yl) N-[5-(4-methylpiperidin-1-yl)-1,3-benzothiazol-2-yl]carbamothioate Openeye Name: S-(4-methylpiperazin-1-yl) N-[5-(4-methyl-1-piperidyl)-1,3-benzothiazol-2-yl]carbamothioate CAS Name: N-[5-(4-methyl-1-piperidinyl)-1,3-benzothiazol-2-yl]carbamothioic acid S-[(4-methyl-1-piperazinyl)] ester IUPAC Name: S-(4-methylpiperazin-1-yl) N-[5-(4-methylpiperidin-1-yl)-1,3-benzothiazol-2-yl]carbamothioate Traditional Name: N-[5-(4-methylpiperidino)-1,3-benzothiazol-2-yl]thiocarbamic acid S-(4-methylpiperazino) ester Formula: C19H27N5OS2 MolecularWeight: 405.58058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC3=C(C=C2)SC(=N3)NC(=O)SN4CCN(CC4)C

Isomeric SMILES

CC1CCN(CC1)C2=CC3=C(C=C2)SC(=N3)NC(=O)SN4CCN(CC4)C

InChI

InChI=1S/C19H27N5OS2/c1-14-5-7-23(8-6-14)15-3-4-17-16(13-15)20-18(26-17)21-19(25)27-24-11-9-22(2)10-12-24/h3-4,13-14H,5-12H2,1-2H3,(H,20,21,25)