1-(2-methoxy-5-nitro-phenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-(2-methoxy-5-nitro-phenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(2-methoxy-5-nitro-phenyl)-3-[5-(2-methyl-1-piperidyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(2-methoxy-5-nitrophenyl)-3-[5-(2-methyl-1-piperidinyl)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(2-methoxy-5-nitrophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(2-methoxy-5-nitro-phenyl)-3-[5-(2-methylpiperidino)-1,3,4-thiadiazol-2-yl]urea Formula: C16H20N6O4S MolecularWeight: 392.4328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NN=C(S2)NC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1CCCCN1C2=NN=C(S2)NC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H20N6O4S/c1-10-5-3-4-8-21(10)16-20-19-15(27-16)18-14(23)17-12-9-11(22(24)25)6-7-13(12)26-2/h6-7,9-10H,3-5,8H2,1-2H3,(H2,17,18,19,23)