4-[(3-methoxyphenyl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide

Systemtic Name: 4-[(3-methoxyphenyl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Openeye Name: 4-[(3-methoxyphenyl)carbamothioylamino]-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]butanamide CAS Name: 4-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]butanamide IUPAC Name: 4-[(3-methoxyphenyl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Traditional Name: 4-[(3-methoxyphenyl)thiocarbamoylamino]-N-[3-[3-(piperidinomethyl)phenoxy]propyl]butyramide Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NCCCC(=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NCCCC(=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C27H38N4O3S/c1-33-24-11-6-10-23(20-24)30-27(35)29-14-7-13-26(32)28-15-8-18-34-25-12-5-9-22(19-25)21-31-16-3-2-4-17-31/h5-6,9-12,19-20H,2-4,7-8,13-18,21H2,1H3,(H,28,32)(H2,29,30,35)