1-(4-methoxyphenyl)-3-[3-[4-(4-methylsulfanylphenyl)piperazin-1-yl]propyl]urea

Systemtic Name: 1-(4-methoxyphenyl)-3-[3-[4-(4-methylsulfanylphenyl)piperazin-1-yl]propyl]urea Openeye Name: 1-(4-methoxyphenyl)-3-[3-[4-(4-methylsulfanylphenyl)piperazin-1-yl]propyl]urea CAS Name: 1-(4-methoxyphenyl)-3-[3-[4-[4-(methylthio)phenyl]-1-piperazinyl]propyl]urea IUPAC Name: 1-(4-methoxyphenyl)-3-[3-[4-(4-methylsulfanylphenyl)piperazin-1-yl]propyl]urea Traditional Name: 1-(4-methoxyphenyl)-3-[3-[4-[4-(methylthio)phenyl]piperazino]propyl]urea Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H30N4O2S/c1-28-20-8-4-18(5-9-20)24-22(27)23-12-3-13-25-14-16-26(17-15-25)19-6-10-21(29-2)11-7-19/h4-11H,3,12-17H2,1-2H3,(H2,23,24,27)