6-(phenylcarbamothioylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]hexanamide

Systemtic Name: 6-(phenylcarbamothioylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]hexanamide Openeye Name: 6-(phenylcarbamothioylamino)-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]hexanamide CAS Name: 6-[[anilino(sulfanylidene)methyl]amino]-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]hexanamide IUPAC Name: 6-(phenylcarbamothioylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]hexanamide Traditional Name: 6-(phenylthiocarbamoylamino)-N-[3-[3-(piperidinomethyl)phenoxy]propyl]hexanamide Formula: C28H40N4O2S MolecularWeight: 496.7078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CCCCCNC(=S)NC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CCCCCNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C28H40N4O2S/c33-27(16-6-2-7-17-30-28(35)31-25-13-4-1-5-14-25)29-18-11-21-34-26-15-10-12-24(22-26)23-32-19-8-3-9-20-32/h1,4-5,10,12-15,22H,2-3,6-9,11,16-21,23H2,(H,29,33)(H2,30,31,35)