1-(6-nitro-1,3-benzothiazol-2-yl)-3-(piperidin-4-ylmethyl)thiourea

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(piperidin-4-ylmethyl)thiourea Openeye Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-piperidylmethyl)thiourea CAS Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-piperidinylmethyl)thiourea IUPAC Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(piperidin-4-ylmethyl)thiourea Traditional Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-piperidylmethyl)thiourea Formula: C14H17N5O2S2 MolecularWeight: 351.44708

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CNC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CNCCC1CNC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O2S2/c20-19(21)10-1-2-11-12(7-10)23-14(17-11)18-13(22)16-8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2,(H2,16,17,18,22)