N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-1-(furan-2-ylcarbonyl)piperidine-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-1-(furan-2-ylcarbonyl)piperidine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-1-[2-furanyl(oxo)methyl]-3-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-1-(2-furoyl)nipecotamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CSC(=N2)NC(=O)C3CCCN(C3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CCCN(CC1)CC2=CSC(=N2)NC(=O)C3CCCN(C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H28N4O3S/c26-19(16-7-5-11-25(13-16)20(27)18-8-6-12-28-18)23-21-22-17(15-29-21)14-24-9-3-1-2-4-10-24/h6,8,12,15-16H,1-5,7,9-11,13-14H2,(H,22,23,26)