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

Systemtic Name: 3-nitro-4-piperidin-1-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: 3-nitro-4-(1-piperidinyl)-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-nitro-4-piperidin-1-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-3-nitro-4-piperidino-benzamide Formula: C17H19N5O3S2 MolecularWeight: 405.49446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O3S2/c1-2-10-26-17-20-19-16(27-17)18-15(23)12-6-7-13(14(11-12)22(24)25)21-8-4-3-5-9-21/h2,6-7,11H,1,3-5,8-10H2,(H,18,19,23)