N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O3S/c1-3-4-7-17-21-22-19(28-17)20-18(25)14-8-9-15(16(11-14)24(26)27)23-10-5-6-13(2)12-23/h8-9,11,13H,3-7,10,12H2,1-2H3,(H,20,22,25)