1-(6-nitro-1,3-benzothiazol-2-yl)-3-piperidin-1-yl-urea

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-piperidin-1-yl-urea Openeye Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(1-piperidyl)urea CAS Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(1-piperidinyl)urea IUPAC Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-piperidin-1-ylurea Traditional Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-piperidino-urea Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)NC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3S/c19-12(16-17-6-2-1-3-7-17)15-13-14-10-5-4-9(18(20)21)8-11(10)22-13/h4-5,8H,1-3,6-7H2,(H2,14,15,16,19)