1-(3,5-dimethylphenyl)-3-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]urea

Systemtic Name: 1-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)urea CAS Name: 1-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)urea Traditional Name: 1-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-3-(3,5-dimethylphenyl)urea Formula: C27H34N4OS MolecularWeight: 462.65006

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4OS/c1-20-16-21(2)18-24(17-20)29-27(32)28-22(3)26(25-10-7-15-33-25)31-13-11-30(12-14-31)19-23-8-5-4-6-9-23/h4-10,15-18,22,26H,11-14,19H2,1-3H3,(H2,28,29,32)