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

Systemtic Name: 1-(4-methylsulfanylphenyl)-3-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]urea Openeye Name: 1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(4-methylsulfanylphenyl)urea CAS Name: 1-[4-(methylthio)phenyl]-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]urea IUPAC Name: 1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-[3-(4-benzylpiperazino)propyl]-3-[4-(methylthio)phenyl]urea Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N4OS/c1-28-21-10-8-20(9-11-21)24-22(27)23-12-5-13-25-14-16-26(17-15-25)18-19-6-3-2-4-7-19/h2-4,6-11H,5,12-18H2,1H3,(H2,23,24,27)