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

Systemtic Name: 4-(4-methylpiperidin-1-yl)-3-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3S/c1-15-9-11-26(12-10-15)18-8-7-17(14-19(18)27(29)30)21(28)23-22-25-24-20(31-22)13-16-5-3-2-4-6-16/h2-8,14-15H,9-13H2,1H3,(H,23,25,28)