1-phenethyl-3-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]urea

Systemtic Name: 1-phenethyl-3-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]urea Openeye Name: 1-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-3-phenethyl-urea CAS Name: 1-phenethyl-3-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]urea IUPAC Name: 1-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-phenethylurea Traditional Name: 1-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-3-phenethyl-urea Formula: C27H34N4OS MolecularWeight: 462.65006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4OS/c1-22(29-27(32)28-15-14-23-9-4-2-5-10-23)26(25-13-8-20-33-25)31-18-16-30(17-19-31)21-24-11-6-3-7-12-24/h2-13,20,22,26H,14-19,21H2,1H3,(H2,28,29,32)