S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-5-methylsulfanyl-1,3-benzoxazol-6-yl)carbamothioate

Systemtic Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-5-methylsulfanyl-1,3-benzoxazol-6-yl)carbamothioate Openeye Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-5-methylsulfanyl-1,3-benzoxazol-6-yl)carbamothioate CAS Name: N-[2-tert-butyl-5-(methylthio)-1,3-benzoxazol-6-yl]carbamothioic acid S-[(4-methyl-1-piperazinyl)] ester IUPAC Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-5-methylsulfanyl-1,3-benzoxazol-6-yl)carbamothioate Traditional Name: N-[2-tert-butyl-5-(methylthio)-1,3-benzoxazol-6-yl]thiocarbamic acid S-(4-methylpiperazino) ester Formula: C18H26N4O2S2 MolecularWeight: 394.55464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2O1)NC(=O)SN3CCN(CC3)C)SC

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2O1)NC(=O)SN3CCN(CC3)C)SC

InChI

InChI=1S/C18H26N4O2S2/c1-18(2,3)16-19-12-11-15(25-5)13(10-14(12)24-16)20-17(23)26-22-8-6-21(4)7-9-22/h10-11H,6-9H2,1-5H3,(H,20,23)