2-[2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[2-[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]propanoylamino]thiophene-3-carboxamide Formula: C22H26N6O3S2 MolecularWeight: 486.61024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)SC2=NN=C(N2C3=CC=CC=C3OC)N4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)SC2=NN=C(N2C3=CC=CC=C3OC)N4CCCCC4

InChI

InChI=1S/C22H26N6O3S2/c1-14(19(30)24-20-15(18(23)29)10-13-32-20)33-22-26-25-21(27-11-6-3-7-12-27)28(22)16-8-4-5-9-17(16)31-2/h4-5,8-10,13-14H,3,6-7,11-12H2,1-2H3,(H2,23,29)(H,24,30)