N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(3R)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-[(3R)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-[(3R)-3-methylpiperidino]-3-nitro-benzamide Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCC[C@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3S2/c1-3-26-17-20-19-16(27-17)18-15(23)12-6-7-13(14(9-12)22(24)25)21-8-4-5-11(2)10-21/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,18,19,23)/t11-/m1/s1