1-[(2-methylphenyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea

Systemtic Name: 1-[(2-methylphenyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea Openeye Name: 1-[o-tolyl-[3-[3-(1-piperidylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea CAS Name: 1-[[2-methyl-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]anilino]-sulfanylidenemethyl]-1-propylurea IUPAC Name: 1-[(2-methylphenyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propylurea Traditional Name: 1-[o-tolyl-[3-[3-(piperidinomethyl)phenoxy]propyl]thiocarbamoyl]-1-propyl-urea Formula: C27H38N4O2S MolecularWeight: 482.68122

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=C3C

Isomeric SMILES

CCCN(C(=O)N)C(=S)N(CCCOC1=CC=CC(=C1)CN2CCCCC2)C3=CC=CC=C3C

InChI

InChI=1S/C27H38N4O2S/c1-3-15-31(26(28)32)27(34)30(25-14-6-5-11-22(25)2)18-10-19-33-24-13-9-12-23(20-24)21-29-16-7-4-8-17-29/h5-6,9,11-14,20H,3-4,7-8,10,15-19,21H2,1-2H3,(H2,28,32)