1-[(3-methoxyphenyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea

Systemtic Name: 1-[(3-methoxyphenyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea Openeye Name: 1-[(3-methoxyphenyl)-[3-[3-(1-piperidylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea CAS Name: 1-[[3-methoxy-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]anilino]-sulfanylidenemethyl]-1-propylurea IUPAC Name: 1-[(3-methoxyphenyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propylurea Traditional Name: 1-[(3-methoxyphenyl)-[3-[3-(piperidinomethyl)phenoxy]propyl]thiocarbamoyl]-1-propyl-urea Formula: C27H38N4O3S MolecularWeight: 498.68062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)N)C(=S)N(CCCOC1=CC=CC(=C1)CN2CCCCC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCN(C(=O)N)C(=S)N(CCCOC1=CC=CC(=C1)CN2CCCCC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C27H38N4O3S/c1-3-14-31(26(28)32)27(35)30(23-11-8-12-24(20-23)33-2)17-9-18-34-25-13-7-10-22(19-25)21-29-15-5-4-6-16-29/h7-8,10-13,19-20H,3-6,9,14-18,21H2,1-2H3,(H2,28,32)