N-(3-ethoxypropyl)-5-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(3-ethoxypropyl)-5-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(3-ethoxypropyl)-5-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(3-ethoxypropyl)-5-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(3-ethoxypropyl)-5-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: 3-ethoxypropyl-[5-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C18H25N5O5S3 MolecularWeight: 487.6166

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O5S3/c1-2-28-12-6-9-19-17-20-21-18(30-17)29-16-8-7-14(13-15(16)23(24)25)31(26,27)22-10-4-3-5-11-22/h7-8,13H,2-6,9-12H2,1H3,(H,19,20)