1-[4-(4-methylpiperidin-1-yl)-7-nitro-1,3-benzothiazol-2-yl]thiourea

Systemtic Name: 1-[4-(4-methylpiperidin-1-yl)-7-nitro-1,3-benzothiazol-2-yl]thiourea Openeye Name: [4-(4-methyl-1-piperidyl)-7-nitro-1,3-benzothiazol-2-yl]thiourea CAS Name: [4-(4-methyl-1-piperidinyl)-7-nitro-1,3-benzothiazol-2-yl]thiourea IUPAC Name: [4-(4-methylpiperidin-1-yl)-7-nitro-1,3-benzothiazol-2-yl]thiourea Traditional Name: [4-(4-methylpiperidino)-7-nitro-1,3-benzothiazol-2-yl]thiourea Formula: C14H17N5O2S2 MolecularWeight: 351.44708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])SC(=N3)NC(=S)N

Isomeric SMILES

CC1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])SC(=N3)NC(=S)N

InChI

InChI=1S/C14H17N5O2S2/c1-8-4-6-18(7-5-8)9-2-3-10(19(20)21)12-11(9)16-14(23-12)17-13(15)22/h2-3,8H,4-7H2,1H3,(H3,15,16,17,22)