1-(5-nitro-6-piperidin-1-yl-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-(5-nitro-6-piperidin-1-yl-1,3-benzothiazol-2-yl)thiourea Openeye Name: [5-nitro-6-(1-piperidyl)-1,3-benzothiazol-2-yl]thiourea CAS Name: [5-nitro-6-(1-piperidinyl)-1,3-benzothiazol-2-yl]thiourea IUPAC Name: (5-nitro-6-piperidin-1-yl-1,3-benzothiazol-2-yl)thiourea Traditional Name: (5-nitro-6-piperidino-1,3-benzothiazol-2-yl)thiourea Formula: C13H15N5O2S2 MolecularWeight: 337.4205

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C3C(=C2)SC(=N3)NC(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C3C(=C2)SC(=N3)NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O2S2/c14-12(21)16-13-15-8-6-10(18(19)20)9(7-11(8)22-13)17-4-2-1-3-5-17/h6-7H,1-5H2,(H3,14,15,16,21)