4-[(6-methoxypyridin-2-yl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide

Systemtic Name: 4-[(6-methoxypyridin-2-yl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Openeye Name: 4-[(6-methoxy-2-pyridyl)carbamothioylamino]-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]butanamide CAS Name: 4-[[[(6-methoxy-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]butanamide IUPAC Name: 4-[(6-methoxypyridin-2-yl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Traditional Name: 4-[(6-methoxy-2-pyridyl)thiocarbamoylamino]-N-[3-[3-(piperidinomethyl)phenoxy]propyl]butyramide Formula: C26H37N5O3S MolecularWeight: 499.66868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)NC(=S)NCCCC(=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

COC1=CC=CC(=N1)NC(=S)NCCCC(=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C26H37N5O3S/c1-33-25-13-6-11-23(29-25)30-26(35)28-14-7-12-24(32)27-15-8-18-34-22-10-5-9-21(19-22)20-31-16-3-2-4-17-31/h5-6,9-11,13,19H,2-4,7-8,12,14-18,20H2,1H3,(H,27,32)(H2,28,29,30,35)