1-[6-[4-[[5-(3-bromophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-6-oxidanylidene-hexyl]urea

Systemtic Name: 1-[6-[4-[[5-(3-bromophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-6-oxidanylidene-hexyl]urea Openeye Name: [6-[4-[[5-(3-bromophenyl)-2-thienyl]methyl]piperazin-1-yl]-6-oxo-hexyl]urea CAS Name: [6-[4-[[5-(3-bromophenyl)-2-thiophenyl]methyl]-1-piperazinyl]-6-oxohexyl]urea IUPAC Name: [6-[4-[[5-(3-bromophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-6-oxohexyl]urea Traditional Name: [6-[4-[[5-(3-bromophenyl)-2-thienyl]methyl]piperazino]-6-keto-hexyl]urea Formula: C22H29BrN4O2S MolecularWeight: 493.46026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)C3=CC(=CC=C3)Br)C(=O)CCCCCNC(=O)N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)C3=CC(=CC=C3)Br)C(=O)CCCCCNC(=O)N

InChI

InChI=1S/C22H29BrN4O2S/c23-18-6-4-5-17(15-18)20-9-8-19(30-20)16-26-11-13-27(14-12-26)21(28)7-2-1-3-10-25-22(24)29/h4-6,8-9,15H,1-3,7,10-14,16H2,(H3,24,25,29)