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

Systemtic Name: S-(2-methyl-4-oxidanidyl-piperazin-1-yl) N-(2-tert-butyl-6-nitro-1,3-benzoxazol-5-yl)carbamothioate Openeye Name: S-(2-methyl-4-oxido-piperazin-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-[(2-methyl-4-oxido-1-piperazinyl)] ester IUPAC Name: S-(2-methyl-4-oxidopiperazin-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-(2-methyl-4-oxido-piperazino) ester Formula: C17H22N5O5S- MolecularWeight: 408.45208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1SC(=O)NC2=C(C=C3C(=C2)N=C(O3)C(C)(C)C)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1CN(CCN1SC(=O)NC2=C(C=C3C(=C2)N=C(O3)C(C)(C)C)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H22N5O5S/c1-10-9-20(24)5-6-21(10)28-16(23)19-11-7-12-14(8-13(11)22(25)26)27-15(18-12)17(2,3)4/h7-8,10H,5-6,9H2,1-4H3,(H,19,23)/q-1