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

Systemtic Name: 1-[(2-methoxyphenyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea Openeye Name: 1-[(2-methoxyphenyl)-[3-[3-(1-piperidylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea CAS Name: 1-[[2-methoxy-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]anilino]-sulfanylidenemethyl]-1-propylurea IUPAC Name: 1-[(2-methoxyphenyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propylurea Traditional Name: 1-[(2-methoxyphenyl)-[3-[3-(piperidinomethyl)phenoxy]propyl]thiocarbamoyl]-1-propyl-urea Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)N)C(=S)N(CCCOC1=CC=CC(=C1)CN2CCCCC2)C3=CC=CC=C3OC

Isomeric SMILES

CCCN(C(=O)N)C(=S)N(CCCOC1=CC=CC(=C1)CN2CCCCC2)C3=CC=CC=C3OC

InChI

InChI=1S/C27H38N4O3S/c1-3-15-31(26(28)32)27(35)30(24-13-5-6-14-25(24)33-2)18-10-19-34-23-12-9-11-22(20-23)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)