N-(4-chlorophenyl)-5-[(4-cyclopropylcarbonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-(4-chlorophenyl)-5-[(4-cyclopropylcarbonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-(4-chlorophenyl)-5-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(4-chlorophenyl)-5-[[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(4-chlorophenyl)-5-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-(4-chlorophenyl)-5-[[4-(cyclopropanecarbonyl)piperazino]methyl]-1,3,4-thiadiazole-2-carboxamide Formula: C18H20ClN5O2S MolecularWeight: 405.9017

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)CC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)CC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H20ClN5O2S/c19-13-3-5-14(6-4-13)20-16(25)17-22-21-15(27-17)11-23-7-9-24(10-8-23)18(26)12-1-2-12/h3-6,12H,1-2,7-11H2,(H,20,25)