1-(7-nitro-4-piperidin-1-yl-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-(7-nitro-4-piperidin-1-yl-1,3-benzothiazol-2-yl)thiourea Openeye Name: [7-nitro-4-(1-piperidyl)-1,3-benzothiazol-2-yl]thiourea CAS Name: [7-nitro-4-(1-piperidinyl)-1,3-benzothiazol-2-yl]thiourea IUPAC Name: (7-nitro-4-piperidin-1-yl-1,3-benzothiazol-2-yl)thiourea Traditional Name: (7-nitro-4-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=C3C(=C(C=C2)[N+](=O)[O-])SC(=N3)NC(=S)N

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O2S2/c14-12(21)16-13-15-10-8(17-6-2-1-3-7-17)4-5-9(18(19)20)11(10)22-13/h4-5H,1-3,6-7H2,(H3,14,15,16,21)