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

Systemtic Name: 1-(3-methylphenyl)-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-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-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-(3-methylphenyl)urea Traditional Name: 1-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-3-(m-tolyl)urea Formula: C26H32N4OS MolecularWeight: 448.62348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4OS/c1-20-8-6-11-23(18-20)28-26(31)27-21(2)25(24-12-7-17-32-24)30-15-13-29(14-16-30)19-22-9-4-3-5-10-22/h3-12,17-18,21,25H,13-16,19H2,1-2H3,(H2,27,28,31)