1-[1-(3-bromophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]urea

Systemtic Name: 1-[1-(3-bromophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]urea Openeye Name: [1-(3-bromophenyl)-3-[4-(m-tolyl)piperazin-1-yl]-3-oxo-propyl]urea CAS Name: [1-(3-bromophenyl)-3-[4-(3-methylphenyl)-1-piperazinyl]-3-oxopropyl]urea IUPAC Name: [1-(3-bromophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]urea Traditional Name: [1-(3-bromophenyl)-3-keto-3-[4-(m-tolyl)piperazino]propyl]urea Formula: C21H25BrN4O2 MolecularWeight: 445.3528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CC(C3=CC(=CC=C3)Br)NC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CC(C3=CC(=CC=C3)Br)NC(=O)N

InChI

InChI=1S/C21H25BrN4O2/c1-15-4-2-7-18(12-15)25-8-10-26(11-9-25)20(27)14-19(24-21(23)28)16-5-3-6-17(22)13-16/h2-7,12-13,19H,8-11,14H2,1H3,(H3,23,24,28)