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

Systemtic Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-6-nitro-1,3-benzoxazol-5-yl)carbamothioate Openeye Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-6-nitro-1,3-benzoxazol-5-yl)carbamothioate CAS Name: N-(2-tert-butyl-6-nitro-1,3-benzoxazol-5-yl)carbamothioic acid S-[(4-methyl-1-piperazinyl)] ester IUPAC Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-6-nitro-1,3-benzoxazol-5-yl)carbamothioate Traditional Name: N-(2-tert-butyl-6-nitro-1,3-benzoxazol-5-yl)thiocarbamic acid S-(4-methylpiperazino) ester Formula: C17H23N5O4S MolecularWeight: 393.46062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=O)SN3CCN(CC3)C

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=O)SN3CCN(CC3)C

InChI

InChI=1S/C17H23N5O4S/c1-17(2,3)15-18-12-9-11(13(22(24)25)10-14(12)26-15)19-16(23)27-21-7-5-20(4)6-8-21/h9-10H,5-8H2,1-4H3,(H,19,23)