propyl 4-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: propyl 4-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: propyl 4-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-1-piperazinecarboxylic acid propyl ester IUPAC Name: propyl 4-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl]piperazine-1-carboxylic acid propyl ester Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)N1CCN(CC1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)N1CCN(CC1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O5S/c1-2-9-27-17(24)21-7-5-20(6-8-21)11-15(23)19-16-18-13-4-3-12(22(25)26)10-14(13)28-16/h3-4,10H,2,5-9,11H2,1H3,(H,18,19,23)