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

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C23H22N6O3S2 MolecularWeight: 494.58918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O3S2/c1-15-8-10-28(11-9-15)19-7-6-18(12-20(19)29(31)32)21(30)25-22-26-27-23(34-22)33-14-17-4-2-16(13-24)3-5-17/h2-7,12,15H,8-11,14H2,1H3,(H,25,26,30)