1-[6-(2-methylpiperidin-1-yl)-5-nitro-1,3-benzothiazol-2-yl]thiourea

Systemtic Name: 1-[6-(2-methylpiperidin-1-yl)-5-nitro-1,3-benzothiazol-2-yl]thiourea Openeye Name: [6-(2-methyl-1-piperidyl)-5-nitro-1,3-benzothiazol-2-yl]thiourea CAS Name: [6-(2-methyl-1-piperidinyl)-5-nitro-1,3-benzothiazol-2-yl]thiourea IUPAC Name: [6-(2-methylpiperidin-1-yl)-5-nitro-1,3-benzothiazol-2-yl]thiourea Traditional Name: [6-(2-methylpiperidino)-5-nitro-1,3-benzothiazol-2-yl]thiourea Formula: C14H17N5O2S2 MolecularWeight: 351.44708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C=C3C(=C2)SC(=N3)NC(=S)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C=C3C(=C2)SC(=N3)NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O2S2/c1-8-4-2-3-5-18(8)10-7-12-9(6-11(10)19(20)21)16-14(23-12)17-13(15)22/h6-8H,2-5H2,1H3,(H3,15,16,17,22)