S-[4-(2-hydroxyethyl)piperazin-1-yl] N-(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)carbamothioate

Systemtic Name: S-[4-(2-hydroxyethyl)piperazin-1-yl] N-(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)carbamothioate Openeye Name: S-[4-(2-hydroxyethyl)piperazin-1-yl] N-(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)carbamothioate CAS Name: N-(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)carbamothioic acid S-[[4-(2-hydroxyethyl)-1-piperazinyl]] ester IUPAC Name: S-[4-(2-hydroxyethyl)piperazin-1-yl] N-(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)carbamothioate Traditional Name: N-(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)thiocarbamic acid S-[4-(2-hydroxyethyl)piperazino] ester Formula: C19H28N4O3S2 MolecularWeight: 424.58062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=O)SN3CCN(CC3)CCO)OC

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=O)SN3CCN(CC3)CCO)OC

InChI

InChI=1S/C19H28N4O3S2/c1-19(2,3)17-20-14-11-15(26-4)13(12-16(14)27-17)21-18(25)28-23-7-5-22(6-8-23)9-10-24/h11-12,24H,5-10H2,1-4H3,(H,21,25)