N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-piperidino-benzamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3S/c1-12(2)10-16-20-21-18(27-16)19-17(24)13-6-7-14(15(11-13)23(25)26)22-8-4-3-5-9-22/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,21,24)