(3S)-3-[[4-(3-azanylpentan-3-yl)-1,2,3-triazol-1-yl]methyl]-N-thiophen-3-yl-piperidine-1-carboxamide

Systemtic Name: (3S)-3-[[4-(3-azanylpentan-3-yl)-1,2,3-triazol-1-yl]methyl]-N-thiophen-3-yl-piperidine-1-carboxamide Openeye Name: (3S)-3-[[4-(1-amino-1-ethyl-propyl)triazol-1-yl]methyl]-N-(3-thienyl)piperidine-1-carboxamide CAS Name: (3S)-3-[[4-(3-aminopentan-3-yl)-1-triazolyl]methyl]-N-(3-thiophenyl)-1-piperidinecarboxamide IUPAC Name: (3S)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide Traditional Name: (3S)-3-[[4-(1-amino-1-ethyl-propyl)triazol-1-yl]methyl]-N-(3-thienyl)piperidine-1-carboxamide Formula: C18H28N6OS MolecularWeight: 376.51952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CN(N=N1)CC2CCCN(C2)C(=O)NC3=CSC=C3)N

Isomeric SMILES

CCC(CC)(C1=CN(N=N1)C[C@H]2CCCN(C2)C(=O)NC3=CSC=C3)N

InChI

InChI=1S/C18H28N6OS/c1-3-18(19,4-2)16-12-24(22-21-16)11-14-6-5-8-23(10-14)17(25)20-15-7-9-26-13-15/h7,9,12-14H,3-6,8,10-11,19H2,1-2H3,(H,20,25)/t14-/m0/s1