N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-nitro-4-piperidino-benzamide Formula: C16H19N5O3S2 MolecularWeight: 393.48376

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O3S2/c1-2-25-16-19-18-15(26-16)17-14(22)11-6-7-12(13(10-11)21(23)24)20-8-4-3-5-9-20/h6-7,10H,2-5,8-9H2,1H3,(H,17,18,22)