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

Systemtic Name: 3-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-piperidin-1-yl-benzamide Openeye Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(1-piperidinyl)benzamide IUPAC Name: 3-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-piperidin-1-ylbenzamide Traditional Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitro-4-piperidino-benzamide Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

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