N-[4-[4-(3-ethoxypropanoylcarbamothioylamino)phenoxy]pyridin-2-yl]pyrrolidine-1-carboxamide

Systemtic Name: N-[4-[4-(3-ethoxypropanoylcarbamothioylamino)phenoxy]pyridin-2-yl]pyrrolidine-1-carboxamide Openeye Name: N-[4-[4-(3-ethoxypropanoylcarbamothioylamino)phenoxy]-2-pyridyl]pyrrolidine-1-carboxamide CAS Name: N-[4-[4-[[[(3-ethoxy-1-oxopropyl)amino]-sulfanylidenemethyl]amino]phenoxy]-2-pyridinyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[4-[4-(3-ethoxypropanoylcarbamothioylamino)phenoxy]pyridin-2-yl]pyrrolidine-1-carboxamide Traditional Name: N-[4-[4-(3-ethoxypropanoylthiocarbamoylamino)phenoxy]-2-pyridyl]pyrrolidine-1-carboxamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(=O)NC(=S)NC1=CC=C(C=C1)OC2=CC(=NC=C2)NC(=O)N3CCCC3

Isomeric SMILES

CCOCCC(=O)NC(=S)NC1=CC=C(C=C1)OC2=CC(=NC=C2)NC(=O)N3CCCC3

InChI

InChI=1S/C22H27N5O4S/c1-2-30-14-10-20(28)26-21(32)24-16-5-7-17(8-6-16)31-18-9-11-23-19(15-18)25-22(29)27-12-3-4-13-27/h5-9,11,15H,2-4,10,12-14H2,1H3,(H,23,25,29)(H2,24,26,28,32)