2-[1-[4-(carbamothioylamino)phenyl]carbonylpiperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethyl-pyridine-3-carboxamide

Systemtic Name: 2-[1-[4-(carbamothioylamino)phenyl]carbonylpiperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethyl-pyridine-3-carboxamide Openeye Name: 2-[1-[4-(carbamothioylamino)benzoyl]-4-piperidyl]-N-(2-furylmethyl)-N,6-dimethyl-pyridine-3-carboxamide CAS Name: 2-[1-[[4-(carbamothioylamino)phenyl]-oxomethyl]-4-piperidinyl]-N-(2-furanylmethyl)-N,6-dimethyl-3-pyridinecarboxamide IUPAC Name: 2-[1-[4-(carbamothioylamino)benzoyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide Traditional Name: N-(2-furfuryl)-N,6-dimethyl-2-[1-(4-thioureidobenzoyl)-4-piperidyl]nicotinamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N(C)CC2=CC=CO2)C3CCN(CC3)C(=O)C4=CC=C(C=C4)NC(=S)N

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N(C)CC2=CC=CO2)C3CCN(CC3)C(=O)C4=CC=C(C=C4)NC(=S)N

InChI

InChI=1S/C26H29N5O3S/c1-17-5-10-22(25(33)30(2)16-21-4-3-15-34-21)23(28-17)18-11-13-31(14-12-18)24(32)19-6-8-20(9-7-19)29-26(27)35/h3-10,15,18H,11-14,16H2,1-2H3,(H3,27,29,35)