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

Systemtic Name: 3-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-4-piperidin-1-yl-benzamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-4-(1-piperidinyl)benzamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-piperidino-benzamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3S/c27-20(22-21-24-23-19(30-21)13-15-7-3-1-4-8-15)16-9-10-17(18(14-16)26(28)29)25-11-5-2-6-12-25/h1,3-4,7-10,14H,2,5-6,11-13H2,(H,22,24,27)