N-[4-[3-chloranyl-4-(2-phenylethanoylcarbamothioylamino)phenoxy]pyridin-2-yl]-1-methyl-piperidine-4-carboxamide

Systemtic Name: N-[4-[3-chloranyl-4-(2-phenylethanoylcarbamothioylamino)phenoxy]pyridin-2-yl]-1-methyl-piperidine-4-carboxamide Openeye Name: N-[4-[3-chloro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-2-pyridyl]-1-methyl-piperidine-4-carboxamide CAS Name: N-[4-[3-chloro-4-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]phenoxy]-2-pyridinyl]-1-methyl-4-piperidinecarboxamide IUPAC Name: N-[4-[3-chloro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]pyridin-2-yl]-1-methylpiperidine-4-carboxamide Traditional Name: N-[4-[3-chloro-4-[(2-phenylacetyl)thiocarbamoylamino]phenoxy]-2-pyridyl]-1-methyl-isonipecotamide Formula: C27H28ClN5O3S MolecularWeight: 538.06092

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)NC2=NC=CC(=C2)OC3=CC(=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

CN1CCC(CC1)C(=O)NC2=NC=CC(=C2)OC3=CC(=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H28ClN5O3S/c1-33-13-10-19(11-14-33)26(35)31-24-17-21(9-12-29-24)36-20-7-8-23(22(28)16-20)30-27(37)32-25(34)15-18-5-3-2-4-6-18/h2-9,12,16-17,19H,10-11,13-15H2,1H3,(H,29,31,35)(H2,30,32,34,37)