4-azanyl-1-oxidanylidene-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2-thiazole-5-carboxamide

Systemtic Name: 4-azanyl-1-oxidanylidene-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2-thiazole-5-carboxamide Openeye Name: 4-amino-1-oxo-3-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]isothiazole-5-carboxamide CAS Name: 4-amino-1-oxo-3-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]-5-isothiazolecarboxamide IUPAC Name: 4-amino-1-oxo-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2-thiazole-5-carboxamide Traditional Name: 4-amino-1-keto-3-[3-[3-(piperidinomethyl)phenoxy]propylamino]isothiazole-5-carboxamide Formula: C19H27N5O3S MolecularWeight: 405.51438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NS(=O)C(=C3N)C(=O)N

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NS(=O)C(=C3N)C(=O)N

InChI

InChI=1S/C19H27N5O3S/c20-16-17(18(21)25)28(26)23-19(16)22-8-5-11-27-15-7-4-6-14(12-15)13-24-9-2-1-3-10-24/h4,6-7,12H,1-3,5,8-11,13,20H2,(H2,21,25)(H,22,23)